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

C21H22N2OS — CID 142900158

IUPAC2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccncc3)cs2)cc1OC1CCCCC1
InChIInChI=1S/C21H22N2OS/c1-15-7-8-17(13-20(15)24-18-5-3-2-4-6-18)21-23-19(14-25-21)16-9-11-22-12-10-16/h7-14,18H,2-6H2,1H3
InChIKeyRHBLFVRMPXSTOJ-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.89
Rot. Bonds4

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

2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole (PubChem CID 142900158) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole
PubChem CID142900158
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccncc3)cs2)cc1OC1CCCCC1
InChIInChI=1S/C21H22N2OS/c1-15-7-8-17(13-20(15)24-18-5-3-2-4-6-18)21-23-19(14-25-21)16-9-11-22-12-10-16/h7-14,18H,2-6H2,1H3
InChIKeyRHBLFVRMPXSTOJ-UHFFFAOYSA-N
XLogP5.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole
CID 142221430
ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazol-4-yl]benzoate
CID 21360937
2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
CID 144801100
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 91570843
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
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
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 103597395
2-cyclopentyloxy-4-ethyl-1-methylbenzene
CID 121457691
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597512

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole (CID 142900158) is 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole is Cc1ccc(-c2nc(-c3ccncc3)cs2)cc1OC1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole?
The InChIKey is RHBLFVRMPXSTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-15-7-8-17(13-20(15)24-18-5-3-2-4-6-18)21-23-19(14-25-21)16-9-11-22-12-10-16/h7-14,18H,2-6H2,1H3.
What are the key properties of 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole?
2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole has a molecular weight of 350.49 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 142900158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).