1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone

C18H16N2OS — CID 17391570

IUPAC1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(c2ccccc2)c2ccccc2)nc1C
InChIInChI=1S/C18H16N2OS/c1-13-17(14(2)21)22-18(19-13)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyGNZXXURKNZRRCR-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.12
Rot. Bonds4

About 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 17391570) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID17391570
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(c2ccccc2)c2ccccc2)nc1C
InChIInChI=1S/C18H16N2OS/c1-13-17(14(2)21)22-18(19-13)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyGNZXXURKNZRRCR-UHFFFAOYSA-N
XLogP5.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 69134146
1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62752167
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone
CID 102420366
1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 134113848
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
CID 110478273
1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750809
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697115
1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 63690212
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 118954162
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone (CID 17391570) is 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(c2ccccc2)c2ccccc2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is GNZXXURKNZRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-17(14(2)21)22-18(19-13)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3.
What are the key properties of 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 308.41 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 17391570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).