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

C18H21NO2S — CID 169101390

IUPAC1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2cccc(OC3CCCCC3)c2)nc1C
InChIInChI=1S/C18H21NO2S/c1-12-17(13(2)20)22-18(19-12)14-7-6-10-16(11-14)21-15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyGXFIXLKSSSKDAB-UHFFFAOYSA-N
MW315.44 g/mol
LogP5.03
Rot. Bonds4

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

1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 169101390) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID169101390
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2cccc(OC3CCCCC3)c2)nc1C
InChIInChI=1S/C18H21NO2S/c1-12-17(13(2)20)22-18(19-12)14-7-6-10-16(11-14)21-15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyGXFIXLKSSSKDAB-UHFFFAOYSA-N
XLogP5.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 107105066
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 82437284
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 56922790
2-(dimethylamino)-1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 143281589
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52656409
N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 56762253
(3-methylphenoxy)cyclononane
CID 145391482
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 169101390) is 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2cccc(OC3CCCCC3)c2)nc1C.
What is the InChIKey of 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is GXFIXLKSSSKDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-17(13(2)20)22-18(19-12)14-7-6-10-16(11-14)21-15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 315.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 169101390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).