N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide

C15H16N2O2S — CID 959085

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)nc1C
InChIInChI=1S/C15H16N2O2S/c1-8-5-6-12(7-9(8)2)14(19)17-15-16-10(3)13(20-15)11(4)18/h5-7H,1-4H3,(H,16,17,19)
InChIKeyXKNLZBQPGZPRSK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.52
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide (PubChem CID 959085) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
PubChem CID959085
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)nc1C
InChIInChI=1S/C15H16N2O2S/c1-8-5-6-12(7-9(8)2)14(19)17-15-16-10(3)13(20-15)11(4)18/h5-7H,1-4H3,(H,16,17,19)
InChIKeyXKNLZBQPGZPRSK-UHFFFAOYSA-N
XLogP3.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide (CID 959085) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide is CC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide?
The InChIKey is XKNLZBQPGZPRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-8-5-6-12(7-9(8)2)14(19)17-15-16-10(3)13(20-15)11(4)18/h5-7H,1-4H3,(H,16,17,19).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide has a molecular weight of 288.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 959085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).