2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole

C17H23NOS — CID 70466248

IUPAC2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole
SMILESCC(C)C1CCC(Oc2nc3ccccc3s2)CC1C
InChIInChI=1S/C17H23NOS/c1-11(2)14-9-8-13(10-12(14)3)19-17-18-15-6-4-5-7-16(15)20-17/h4-7,11-14H,8-10H2,1-3H3
InChIKeyLQXBJOPERVABMM-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.14
Rot. Bonds3

About 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole

2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole (PubChem CID 70466248) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole
PubChem CID70466248
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole
SMILESCC(C)C1CCC(Oc2nc3ccccc3s2)CC1C
InChIInChI=1S/C17H23NOS/c1-11(2)14-9-8-13(10-12(14)3)19-17-18-15-6-4-5-7-16(15)20-17/h4-7,11-14H,8-10H2,1-3H3
InChIKeyLQXBJOPERVABMM-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole 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-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole?
The IUPAC name of 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole (CID 70466248) is 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole is CC(C)C1CCC(Oc2nc3ccccc3s2)CC1C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole?
The InChIKey is LQXBJOPERVABMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-11(2)14-9-8-13(10-12(14)3)19-17-18-15-6-4-5-7-16(15)20-17/h4-7,11-14H,8-10H2,1-3H3.
What are the key properties of 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole?
2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole has a molecular weight of 289.44 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole is sourced from PubChem (CID 70466248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).