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

C16H18N2O2S — CID 1406508

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C16H18N2O2S/c1-9(2)12-5-7-13(8-6-12)15(20)18-16-17-10(3)14(21-16)11(4)19/h5-9H,1-4H3,(H,17,18,20)
InChIKeyWHGZYCQNQMCQOR-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.03
Rot. Bonds4

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide (PubChem CID 1406508) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
PubChem CID1406508
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C16H18N2O2S/c1-9(2)12-5-7-13(8-6-12)15(20)18-16-17-10(3)14(21-16)11(4)19/h5-9H,1-4H3,(H,17,18,20)
InChIKeyWHGZYCQNQMCQOR-UHFFFAOYSA-N
XLogP4.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
CID 35281693
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565329
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2324013
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide
CID 43859528
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 41038013
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
CID 47302553
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5074832

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide (CID 1406508) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide is CC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The InChIKey is WHGZYCQNQMCQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-9(2)12-5-7-13(8-6-12)15(20)18-16-17-10(3)14(21-16)11(4)19/h5-9H,1-4H3,(H,17,18,20).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide has a molecular weight of 302.40 g/mol, XLogP of 4.03, 4 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-propan-2-ylbenzamide is sourced from PubChem (CID 1406508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).