(2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C17H18ClN3OS — CID 46843133

IUPAC(2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3OS/c18-12-5-7-13(8-6-12)21-9-1-2-15(21)16(22)20-17-19-14(10-23-17)11-3-4-11/h5-8,10-11,15H,1-4,9H2,(H,19,20,22)/t15-/m0/s1
InChIKeyHXGHTQPWHLGINH-HNNXBMFYSA-N
MW347.87 g/mol
LogP4.28
Rot. Bonds4

About (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 46843133) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID46843133
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name(2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3OS/c18-12-5-7-13(8-6-12)21-9-1-2-15(21)16(22)20-17-19-14(10-23-17)11-3-4-11/h5-8,10-11,15H,1-4,9H2,(H,19,20,22)/t15-/m0/s1
InChIKeyHXGHTQPWHLGINH-HNNXBMFYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 88530997
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94162909
1-(adamantane-1-carbonyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 134005557
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide
CID 46843504
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 75218836
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 46843133) is (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is HXGHTQPWHLGINH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c18-12-5-7-13(8-6-12)21-9-1-2-15(21)16(22)20-17-19-14(10-23-17)11-3-4-11/h5-8,10-11,15H,1-4,9H2,(H,19,20,22)/t15-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 347.87 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46843133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).