1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C15H14ClN3O2S — CID 3127670

IUPAC1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1N1CC(C(=O)Nc2nccs2)CC1=O
InChIInChI=1S/C15H14ClN3O2S/c1-9-11(16)3-2-4-12(9)19-8-10(7-13(19)20)14(21)18-15-17-5-6-22-15/h2-6,10H,7-8H2,1H3,(H,17,18,21)
InChIKeySUNAXQJORHQRPH-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 3127670) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID3127670
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1N1CC(C(=O)Nc2nccs2)CC1=O
InChIInChI=1S/C15H14ClN3O2S/c1-9-11(16)3-2-4-12(9)19-8-10(7-13(19)20)14(21)18-15-17-5-6-22-15/h2-6,10H,7-8H2,1H3,(H,17,18,21)
InChIKeySUNAXQJORHQRPH-UHFFFAOYSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2883662
1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)-3-pyrrolidinecarboxamide
CID 3154415
1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 648907
N-(tert-Butylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205509
N-(tert-Butylcarbamoyl-methyl)-N-(3-chloro-4-fluoro-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205526
1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17201689
1-(3-Chloro-4-methyl-phenyl)-3-(5-chloro-thiazol-2-yl)-1-cyclopentylmethyl-urea
CID 44389882
1-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid thiazol-2-ylamide
CID 3160076
5-Oxo-1-(1-phenyl-ethyl)-pyrrolidine-3-carboxylic acid thiazol-2-ylamide
CID 3160085
1-(2,3-dimethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 3160109
1-[3-Methyl-4-(1-methylethyl)phenyl]-5-oxo-N-2-thiazolyl-3-pyrrolidinecarboxamide
CID 3814511
1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2883198

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 3127670) is 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1c(Cl)cccc1N1CC(C(=O)Nc2nccs2)CC1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is SUNAXQJORHQRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-9-11(16)3-2-4-12(9)19-8-10(7-13(19)20)14(21)18-15-17-5-6-22-15/h2-6,10H,7-8H2,1H3,(H,17,18,21).
What are the key properties of 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3127670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).