CAS
941716-88-7 Purity
96%
941716-88-7 Purity
96%
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2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
CAS
941716-91-2
Catalog Number
ACM941716912
Category
Other Products
Molecular Weight
198.23
Molecular Formula
C8H10N2O2S
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Specification
Synonyms
2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
IUPAC Name
2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
Canonical SMILES
C1CCN(C1)C2=NC=C(S2)C(=O)O
InChI Key
KPQGRYOIUITVHX-UHFFFAOYSA-N
Exact Mass
198.04600
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid?
The molecular formula is C8H10N2O2S.
When was 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid created?
It was created on February 29, 2008.
What is the molecular weight of 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid?
The molecular weight is 198.24 g/mol.
How many hydrogen bond acceptors does 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid have?
It has 5 hydrogen bond acceptors.
What is the canonical SMILES representation of 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES is C1CCN(C1)C2=NC=C(S2)C(=O)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.8.
Does 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
What is the topological polar surface area of the compound?
The topological polar surface area is 81.7 ².
Is 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid canonicalized?
Yes, it is canonicalized.
What is the InChIKey of 2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KPQGRYOIUITVHX-UHFFFAOYSA-N.
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