(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C20H18ClN3OS — CID 154636964

IUPAC(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1
InChIInChI=1S/C20H18ClN3OS/c21-15-8-4-9-16(12-15)23-20(25)24-11-5-10-17(24)19-22-13-18(26-19)14-6-2-1-3-7-14/h1-4,6-9,12-13,17H,5,10-11H2,(H,23,25)/t17-/m0/s1
InChIKeyZLIDFRPWUROSBU-KRWDZBQOSA-N
MW383.90 g/mol
LogP5.83
Rot. Bonds3

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

(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 154636964) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID154636964
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1
InChIInChI=1S/C20H18ClN3OS/c21-15-8-4-9-16(12-15)23-20(25)24-11-5-10-17(24)19-22-13-18(26-19)14-6-2-1-3-7-14/h1-4,6-9,12-13,17H,5,10-11H2,(H,23,25)/t17-/m0/s1
InChIKeyZLIDFRPWUROSBU-KRWDZBQOSA-N
XLogP5.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 175373981
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
(2S)-N-(4-methyl-2-nitrophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636977
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668
N-(3-chlorophenyl)-5-[(2R)-1-[(2-chlorophenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070855
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
5-[(2S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-2-yl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070885
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
5-[(2R)-1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070357
(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070304

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 154636964) is (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is ZLIDFRPWUROSBU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c21-15-8-4-9-16(12-15)23-20(25)24-11-5-10-17(24)19-22-13-18(26-19)14-6-2-1-3-7-14/h1-4,6-9,12-13,17H,5,10-11H2,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 383.90 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154636964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).