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

C21H20N4O3S — CID 46461718

IUPAC3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1C
InChIInChI=1S/C21H20N4O3S/c1-13-16(20(28)22-2)9-6-10-17(13)24-18(26)11-15-12-29-21(23-15)25-19(27)14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,22,28)(H,24,26)(H,23,25,27)
InChIKeyKMWYKWICGNHXLM-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.24
Rot. Bonds6

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

3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide (PubChem CID 46461718) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
PubChem CID46461718
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1C
InChIInChI=1S/C21H20N4O3S/c1-13-16(20(28)22-2)9-6-10-17(13)24-18(26)11-15-12-29-21(23-15)25-19(27)14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,22,28)(H,24,26)(H,23,25,27)
InChIKeyKMWYKWICGNHXLM-UHFFFAOYSA-N
XLogP3.24
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.24
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
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N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide
CID 62795551
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55807846
4-chloro-N-[4-[2-oxo-2-(2-phenylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide (CID 46461718) is 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1C.
What is the InChIKey of 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide?
The InChIKey is KMWYKWICGNHXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-13-16(20(28)22-2)9-6-10-17(13)24-18(26)11-15-12-29-21(23-15)25-19(27)14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,22,28)(H,24,26)(H,23,25,27).
What are the key properties of 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide?
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide has a molecular weight of 408.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 46461718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).