1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol

C17H17NOS — CID 52943938

IUPAC1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3
InChIKeyIGSZVEPQZANNAB-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.17
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol

1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol (PubChem CID 52943938) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
PubChem CID52943938
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3
InChIKeyIGSZVEPQZANNAB-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol 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 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol (CID 52943938) is 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(C)(O)c2nc3ccccc3s2)c(C)c1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is IGSZVEPQZANNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol?
1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 283.40 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 52943938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).