1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C16H16ClN3O2S — CID 136523864

IUPAC1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncsc1CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C16H16ClN3O2S/c1-10-14(23-9-19-10)7-18-16(22)11-6-15(21)20(8-11)13-5-3-2-4-12(13)17/h2-5,9,11H,6-8H2,1H3,(H,18,22)
InChIKeyVAAWSGIBMQCEPB-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.77
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 136523864) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID136523864
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncsc1CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C16H16ClN3O2S/c1-10-14(23-9-19-10)7-18-16(22)11-6-15(21)20(8-11)13-5-3-2-4-12(13)17/h2-5,9,11H,6-8H2,1H3,(H,18,22)
InChIKeyVAAWSGIBMQCEPB-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 134056510
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42955847
1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86825580
1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187486
(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95127313
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 27782863
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
1-(2,3-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191341
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 136523864) is 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ncsc1CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VAAWSGIBMQCEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-10-14(23-9-19-10)7-18-16(22)11-6-15(21)20(8-11)13-5-3-2-4-12(13)17/h2-5,9,11H,6-8H2,1H3,(H,18,22).
What are the key properties of 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136523864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).