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

C14H14N2O2S — CID 733899

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C14H14N2O2S/c1-8-4-6-11(7-5-8)13(18)16-14-15-9(2)12(19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18)
InChIKeyPSFKSUQIWRYTOW-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.21
Rot. Bonds3

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide (PubChem CID 733899) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
PubChem CID733899
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C14H14N2O2S/c1-8-4-6-11(7-5-8)13(18)16-14-15-9(2)12(19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18)
InChIKeyPSFKSUQIWRYTOW-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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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide (CID 733899) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide is CC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide?
The InChIKey is PSFKSUQIWRYTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-4-6-11(7-5-8)13(18)16-14-15-9(2)12(19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide 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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 733899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).