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

C13H14N4O2S — CID 62795551

IUPAC2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H14N4O2S/c1-15-12(19)9-4-2-3-5-10(9)17-11(18)6-8-7-20-13(14)16-8/h2-5,7H,6H2,1H3,(H2,14,16)(H,15,19)(H,17,18)
InChIKeySPJRCUWYXAQQQF-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.27
Rot. Bonds4

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

2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 62795551) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide
PubChem CID62795551
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H14N4O2S/c1-15-12(19)9-4-2-3-5-10(9)17-11(18)6-8-7-20-13(14)16-8/h2-5,7H,6H2,1H3,(H2,14,16)(H,15,19)(H,17,18)
InChIKeySPJRCUWYXAQQQF-UHFFFAOYSA-N
XLogP1.27
TPSA97.11 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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 34755088
2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide
CID 62799631
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
2-(2-amino-1,3-thiazol-4-yl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 62798885
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 62795895
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038
N-(furan-2-ylmethyl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 35859606
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide
CID 62798358

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide (CID 62795551) is 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is SPJRCUWYXAQQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-15-12(19)9-4-2-3-5-10(9)17-11(18)6-8-7-20-13(14)16-8/h2-5,7H,6H2,1H3,(H2,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide?
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 290.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 62795551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).