2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole

C12H19NOS — CID 116782647

IUPAC2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole
SMILESCOC1(c2nc(C)cs2)CCC(C)CC1
InChIInChI=1S/C12H19NOS/c1-9-4-6-12(14-3,7-5-9)11-13-10(2)8-15-11/h8-9H,4-7H2,1-3H3
InChIKeyQLKYRBUGZYDUEV-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.50
Rot. Bonds2

About 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole

2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole (PubChem CID 116782647) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole
PubChem CID116782647
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole
SMILESCOC1(c2nc(C)cs2)CCC(C)CC1
InChIInChI=1S/C12H19NOS/c1-9-4-6-12(14-3,7-5-9)11-13-10(2)8-15-11/h8-9H,4-7H2,1-3H3
InChIKeyQLKYRBUGZYDUEV-UHFFFAOYSA-N
XLogP3.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole (CID 116782647) is 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole is COC1(c2nc(C)cs2)CCC(C)CC1.
What is the InChIKey of 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole?
The InChIKey is QLKYRBUGZYDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-4-6-12(14-3,7-5-9)11-13-10(2)8-15-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole?
2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116782647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).