5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide

C16H17N3O2S — CID 154845834

IUPAC5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCc1sncc1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-14(10-18-22-11)16(21)17-9-12-4-6-13(7-5-12)19-8-2-3-15(19)20/h4-7,10H,2-3,8-9H2,1H3,(H,17,21)
InChIKeyPMZQZGLBLWVNDX-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.51
Rot. Bonds4

About 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide

5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 154845834) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
PubChem CID154845834
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCc1sncc1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-14(10-18-22-11)16(21)17-9-12-4-6-13(7-5-12)19-8-2-3-15(19)20/h4-7,10H,2-3,8-9H2,1H3,(H,17,21)
InChIKeyPMZQZGLBLWVNDX-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
5-methoxy-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 146038734
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 166241121
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 46589066
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide (CID 154845834) is 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide is Cc1sncc1C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is PMZQZGLBLWVNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-14(10-18-22-11)16(21)17-9-12-4-6-13(7-5-12)19-8-2-3-15(19)20/h4-7,10H,2-3,8-9H2,1H3,(H,17,21).
What are the key properties of 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 154845834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).