N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide

C14H14N2O2S — CID 47143245

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2cccc(C)c2C)n1
InChIInChI=1S/C14H14N2O2S/c1-8-5-4-6-11(9(8)2)13(18)16-14-15-12(7-19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18)
InChIKeyYLMFBWKWWTYQSX-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.21
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide (PubChem CID 47143245) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
PubChem CID47143245
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2cccc(C)c2C)n1
InChIInChI=1S/C14H14N2O2S/c1-8-5-4-6-11(9(8)2)13(18)16-14-15-12(7-19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18)
InChIKeyYLMFBWKWWTYQSX-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
N-(4-acetyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 24555768
N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
CID 78820705
N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 113235351
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
N-(4-acetyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 60716951
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 78913584
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55435497

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide (CID 47143245) is N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide is CC(=O)c1csc(NC(=O)c2cccc(C)c2C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide?
The InChIKey is YLMFBWKWWTYQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-5-4-6-11(9(8)2)13(18)16-14-15-12(7-19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide has a molecular weight of 274.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 47143245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).