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

C13H13N3O2S — CID 110484497

IUPAC4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide
SMILESCc1csc(CC(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H13N3O2S/c1-8-7-19-12(15-8)6-11(17)16-10-4-2-9(3-5-10)13(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,16,17)
InChIKeyDCWPLHIIPJYZIB-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.73
Rot. Bonds4

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

4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide (PubChem CID 110484497) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide
PubChem CID110484497
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide
SMILESCc1csc(CC(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H13N3O2S/c1-8-7-19-12(15-8)6-11(17)16-10-4-2-9(3-5-10)13(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,16,17)
InChIKeyDCWPLHIIPJYZIB-UHFFFAOYSA-N
XLogP1.73
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
2-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-2-ylacetamide
CID 110484384
N-(4-methyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484461
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
N-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484536
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 82155172
N-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388497
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9028724
4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 26721108
2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110484551

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide (CID 110484497) is 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide is Cc1csc(CC(=O)Nc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide?
The InChIKey is DCWPLHIIPJYZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-7-19-12(15-8)6-11(17)16-10-4-2-9(3-5-10)13(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide?
4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide has a molecular weight of 275.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 110484497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).