2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole

C21H22N2O2S — CID 142221430

IUPAC2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccncc3)cs2)cc1OC1CCCCC1
InChIInChI=1S/C21H22N2O2S/c1-24-19-8-7-16(13-20(19)25-17-5-3-2-4-6-17)21-23-18(14-26-21)15-9-11-22-12-10-15/h7-14,17H,2-6H2,1H3
InChIKeyYZXLSUMDMDMAJX-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.59
Rot. Bonds5

About 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole

2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole (PubChem CID 142221430) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole
PubChem CID142221430
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccncc3)cs2)cc1OC1CCCCC1
InChIInChI=1S/C21H22N2O2S/c1-24-19-8-7-16(13-20(19)25-17-5-3-2-4-6-17)21-23-18(14-26-21)15-9-11-22-12-10-15/h7-14,17H,2-6H2,1H3
InChIKeyYZXLSUMDMDMAJX-UHFFFAOYSA-N
XLogP5.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole 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

2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole
CID 142900158
ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazol-4-yl]benzoate
CID 21360937
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
CID 8558646
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
6-cyclohexyloxy-2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-4-ylsulfanyl-1H-benzimidazole
CID 139820627
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 139664304
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-4-ylimidazol-4-yl]pyridine
CID 71721523

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole (CID 142221430) is 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole is COc1ccc(-c2nc(-c3ccncc3)cs2)cc1OC1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole?
The InChIKey is YZXLSUMDMDMAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-24-19-8-7-16(13-20(19)25-17-5-3-2-4-6-17)21-23-18(14-26-21)15-9-11-22-12-10-15/h7-14,17H,2-6H2,1H3.
What are the key properties of 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole?
2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole has a molecular weight of 366.49 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 142221430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).