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

C17H19N3O2S — CID 4785111

IUPAC1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ncc(C)s3)CC2=O)cc1
InChIInChI=1S/C17H19N3O2S/c1-11-3-5-13(6-4-11)9-20-10-14(7-15(20)21)16(22)19-17-18-8-12(2)23-17/h3-6,8,14H,7,9-10H2,1-2H3,(H,18,19,22)
InChIKeyPRFLMOPKSPVMDJ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.75
Rot. Bonds4

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

1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4785111) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4785111
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ncc(C)s3)CC2=O)cc1
InChIInChI=1S/C17H19N3O2S/c1-11-3-5-13(6-4-11)9-20-10-14(7-15(20)21)16(22)19-17-18-8-12(2)23-17/h3-6,8,14H,7,9-10H2,1-2H3,(H,18,19,22)
InChIKeyPRFLMOPKSPVMDJ-UHFFFAOYSA-N
XLogP2.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
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-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 6461926
1-[5-(4-Methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907733
N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86275056
N-[5-(4-fluoro-4-phenyl-piperidin-1-ylmethyl)-thiazol-2-yl]-acetamide
CID 86275306
(3S)-1-cyano-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 118980596
(3S)-1-cyano-N-[5-(4-ethynylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118981108
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
CID 163368392
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 163368422

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 4785111) is 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)Nc3ncc(C)s3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PRFLMOPKSPVMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-3-5-13(6-4-11)9-20-10-14(7-15(20)21)16(22)19-17-18-8-12(2)23-17/h3-6,8,14H,7,9-10H2,1-2H3,(H,18,19,22).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4785111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).