(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C19H15ClN4O2S — CID 25329053

IUPAC(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C19H15ClN4O2S/c20-14-5-1-2-6-16(14)24-10-13(8-17(24)25)18(26)23-19-22-15(11-27-19)12-4-3-7-21-9-12/h1-7,9,11,13H,8,10H2,(H,22,23,26)/t13-/m0/s1
InChIKeySERBBBBCOVPUGP-ZDUSSCGKSA-N
MW398.88 g/mol
LogP3.85
Rot. Bonds4

About (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 25329053) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID25329053
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C19H15ClN4O2S/c20-14-5-1-2-6-16(14)24-10-13(8-17(24)25)18(26)23-19-22-15(11-27-19)12-4-3-7-21-9-12/h1-7,9,11,13H,8,10H2,(H,22,23,26)/t13-/m0/s1
InChIKeySERBBBBCOVPUGP-ZDUSSCGKSA-N
XLogP3.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25353564
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16550890
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
(3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25485811
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 40973916
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108810582
6-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573324
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036
1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 112760934

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 25329053) is (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is SERBBBBCOVPUGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-14-5-1-2-6-16(14)24-10-13(8-17(24)25)18(26)23-19-22-15(11-27-19)12-4-3-7-21-9-12/h1-7,9,11,13H,8,10H2,(H,22,23,26)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 398.88 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 25329053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).