(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C14H16ClN3OS — CID 119269600

IUPAC(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C14H15N3OS.ClH/c18-13(12-2-1-7-15-12)17-11-5-3-10(4-6-11)14-16-8-9-19-14;/h3-6,8-9,12,15H,1-2,7H2,(H,17,18);1H/t12-;/m0./s1
InChIKeyDYDJFXQLVIKDSA-YDALLXLXSA-N
MW309.82 g/mol
LogP2.92
Rot. Bonds3

About (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119269600) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119269600
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C14H15N3OS.ClH/c18-13(12-2-1-7-15-12)17-11-5-3-10(4-6-11)14-16-8-9-19-14;/h3-6,8-9,12,15H,1-2,7H2,(H,17,18);1H/t12-;/m0./s1
InChIKeyDYDJFXQLVIKDSA-YDALLXLXSA-N
XLogP2.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119686453
N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119328472
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 63044488
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119677623
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119269600) is (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DYDJFXQLVIKDSA-YDALLXLXSA-N. The full InChI is InChI=1S/C14H15N3OS.ClH/c18-13(12-2-1-7-15-12)17-11-5-3-10(4-6-11)14-16-8-9-19-14;/h3-6,8-9,12,15H,1-2,7H2,(H,17,18);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119269600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).