2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C14H15NOS — CID 64976443

IUPAC2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCc1ccc(-c2nc3c(s2)CCCC3O)cc1
InChIInChI=1S/C14H15NOS/c1-9-5-7-10(8-6-9)14-15-13-11(16)3-2-4-12(13)17-14/h5-8,11,16H,2-4H2,1H3
InChIKeyWHWYISXHPUGDSD-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.49
Rot. Bonds1

About 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976443) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976443
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCc1ccc(-c2nc3c(s2)CCCC3O)cc1
InChIInChI=1S/C14H15NOS/c1-9-5-7-10(8-6-9)14-15-13-11(16)3-2-4-12(13)17-14/h5-8,11,16H,2-4H2,1H3
InChIKeyWHWYISXHPUGDSD-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol 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-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976443) is 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is Cc1ccc(-c2nc3c(s2)CCCC3O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is WHWYISXHPUGDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-9-5-7-10(8-6-9)14-15-13-11(16)3-2-4-12(13)17-14/h5-8,11,16H,2-4H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 245.35 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).