4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide

C13H13N3O3S — CID 9192131

IUPAC4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
SMILESCc1csc(=O)n1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H13N3O3S/c1-8-7-20-13(19)16(8)6-11(17)15-10-4-2-9(3-5-10)12(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyVLALLESLKKSRCT-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.96
Rot. Bonds4

About 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide

4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide (PubChem CID 9192131) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
PubChem CID9192131
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
SMILESCc1csc(=O)n1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H13N3O3S/c1-8-7-20-13(19)16(8)6-11(17)15-10-4-2-9(3-5-10)12(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyVLALLESLKKSRCT-UHFFFAOYSA-N
XLogP0.96
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 87005139
N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86920042
4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43132376
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 86917550
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9266854
4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
CID 43287094
N-(4-fluoro-3-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27667264
3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358105
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 86990066
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832
N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide (CID 9192131) is 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide is Cc1csc(=O)n1CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide?
The InChIKey is VLALLESLKKSRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8-7-20-13(19)16(8)6-11(17)15-10-4-2-9(3-5-10)12(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide?
4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide has a molecular weight of 291.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 9192131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).