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

C14H14N2O2S — CID 3893580

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1C
InChIInChI=1S/C14H14N2O2S/c1-8-5-4-6-11(7-8)13(18)16-14-15-9(2)12(19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18)
InChIKeyBNIYXUUSJXUAHV-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.21
Rot. Bonds3

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide (PubChem CID 3893580) 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)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide
PubChem CID3893580
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1C
InChIInChI=1S/C14H14N2O2S/c1-8-5-4-6-11(7-8)13(18)16-14-15-9(2)12(19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18)
InChIKeyBNIYXUUSJXUAHV-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-Phenylamino-4-methyl-5-acetylthiazole
CID 735838
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
5-Thiazolecarboxamide, 2-amino-4-methyl-N-(2,4,6-trimethylphenyl)-
CID 210813
Ethyl 5-benzoyl-4-phenylthiazol-2-ylcarbamate
CID 7315331
methyl N-{4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl}carbamate
CID 21137651
4-methyl-2-[(methylcarbamoyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911406
2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911563
Nvs-PI3-4
CID 23585510

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide (CID 3893580) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide is CC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide?
The InChIKey is BNIYXUUSJXUAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-5-4-6-11(7-8)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)-3-methylbenzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-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)-3-methylbenzamide is sourced from PubChem (CID 3893580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).