2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride

C8H11ClN2O2S — CID 138040536

IUPAC2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1csc(C2CCNC2)n1
InChIInChI=1S/C8H10N2O2S.ClH/c11-8(12)6-4-13-7(10-6)5-1-2-9-3-5;/h4-5,9H,1-3H2,(H,11,12);1H
InChIKeyUCQBQBOIQQNKTP-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.34
Rot. Bonds2

About 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride

2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride (PubChem CID 138040536) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride
PubChem CID138040536
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1csc(C2CCNC2)n1
InChIInChI=1S/C8H10N2O2S.ClH/c11-8(12)6-4-13-7(10-6)5-1-2-9-3-5;/h4-5,9H,1-3H2,(H,11,12);1H
InChIKeyUCQBQBOIQQNKTP-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride (CID 138040536) is 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1csc(C2CCNC2)n1.
What is the InChIKey of 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride?
The InChIKey is UCQBQBOIQQNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S.ClH/c11-8(12)6-4-13-7(10-6)5-1-2-9-3-5;/h4-5,9H,1-3H2,(H,11,12);1H.
What are the key properties of 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride?
2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride has a molecular weight of 234.71 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1,3-thiazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 138040536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).