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

C13H14N4O2S — CID 62798358

IUPAC4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H14N4O2S/c1-7-4-8(12(14)19)2-3-10(7)17-11(18)5-9-6-20-13(15)16-9/h2-4,6H,5H2,1H3,(H2,14,19)(H2,15,16)(H,17,18)
InChIKeyCBMNVDHMNAZVAN-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.31
Rot. Bonds4

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

4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide (PubChem CID 62798358) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide
PubChem CID62798358
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H14N4O2S/c1-7-4-8(12(14)19)2-3-10(7)17-11(18)5-9-6-20-13(15)16-9/h2-4,6H,5H2,1H3,(H2,14,19)(H2,15,16)(H,17,18)
InChIKeyCBMNVDHMNAZVAN-UHFFFAOYSA-N
XLogP1.31
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbenzamide
CID 107337787
2-(2-amino-1,3-thiazol-4-yl)-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727137
2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723693
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 62795895
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 30940457
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
2-(2-amino-1,3-thiazol-4-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 102805535

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide?
The IUPAC name of 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide (CID 62798358) is 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide?
The canonical SMILES for 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)Cc1csc(N)n1.
What is the InChIKey of 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide?
The InChIKey is CBMNVDHMNAZVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-7-4-8(12(14)19)2-3-10(7)17-11(18)5-9-6-20-13(15)16-9/h2-4,6H,5H2,1H3,(H2,14,19)(H2,15,16)(H,17,18).
What are the key properties of 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide?
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide has a molecular weight of 290.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide is sourced from PubChem (CID 62798358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).