4-(5-chloro-1,3-benzothiazol-2-yl)phenol

C13H8ClNOS — CID 135600436

IUPAC4-(5-chloro-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1
InChIInChI=1S/C13H8ClNOS/c14-9-3-6-12-11(7-9)15-13(17-12)8-1-4-10(16)5-2-8/h1-7,16H
InChIKeyYKJLZMASBAHCRD-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.32
Rot. Bonds1

About 4-(5-chloro-1,3-benzothiazol-2-yl)phenol

4-(5-chloro-1,3-benzothiazol-2-yl)phenol (PubChem CID 135600436) has the molecular formula C13H8ClNOS and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-(5-chloro-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-chloro-1,3-benzothiazol-2-yl)phenol
PubChem CID135600436
Molecular FormulaC13H8ClNOS
Molecular Weight261.73 g/mol
Exact Mass261.00
IUPAC Name4-(5-chloro-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1
InChIInChI=1S/C13H8ClNOS/c14-9-3-6-12-11(7-9)15-13(17-12)8-1-4-10(16)5-2-8/h1-7,16H
InChIKeyYKJLZMASBAHCRD-UHFFFAOYSA-N
XLogP4.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-1,3-benzothiazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 43087846
4-(5-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 58828192
2,6-dichloro-4-(5-chloro-1,3-benzothiazol-2-yl)aniline
CID 82830212
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
5-chloro-2-[3-(chloromethyl)phenyl]-1,3-benzothiazole
CID 43303351
2,3,4,5-tetrachloro-7-(5-chloro-1,3-benzothiazol-2-yl)-6-hydroxycyclohepta-2,4,6-trien-1-one
CID 137273565
2-(4-carboxyphenyl)-1,3-benzothiazole-5-carboxylic acid
CID 142416097
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
CID 135074846
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634
5-(5-chloro-1,3-benzothiazol-2-yl)-2,4-difluoroaniline
CID 54924634
4-bromo-2-(4-hydroxyphenyl)-1,3-benzothiazol-6-ol
CID 135830968
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 4-(5-chloro-1,3-benzothiazol-2-yl)phenol (CID 135600436) is 4-(5-chloro-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 4-(5-chloro-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 4-(5-chloro-1,3-benzothiazol-2-yl)phenol is Oc1ccc(-c2nc3cc(Cl)ccc3s2)cc1.
What is the InChIKey of 4-(5-chloro-1,3-benzothiazol-2-yl)phenol?
The InChIKey is YKJLZMASBAHCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNOS/c14-9-3-6-12-11(7-9)15-13(17-12)8-1-4-10(16)5-2-8/h1-7,16H.
What are the key properties of 4-(5-chloro-1,3-benzothiazol-2-yl)phenol?
4-(5-chloro-1,3-benzothiazol-2-yl)phenol has a molecular weight of 261.73 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 135600436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).