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

C13H8ClNOS — CID 43087846

IUPAC3-(5-chloro-1,3-benzothiazol-2-yl)phenol
SMILESOc1cccc(-c2nc3cc(Cl)ccc3s2)c1
InChIInChI=1S/C13H8ClNOS/c14-9-4-5-12-11(7-9)15-13(17-12)8-2-1-3-10(16)6-8/h1-7,16H
InChIKeyYTHPXIYEXPNKCL-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.32
Rot. Bonds1

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

3-(5-chloro-1,3-benzothiazol-2-yl)phenol (PubChem CID 43087846) has the molecular formula C13H8ClNOS and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-(5-chloro-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(5-chloro-1,3-benzothiazol-2-yl)phenol
PubChem CID43087846
Molecular FormulaC13H8ClNOS
Molecular Weight261.73 g/mol
Exact Mass261.00
IUPAC Name3-(5-chloro-1,3-benzothiazol-2-yl)phenol
SMILESOc1cccc(-c2nc3cc(Cl)ccc3s2)c1
InChIInChI=1S/C13H8ClNOS/c14-9-4-5-12-11(7-9)15-13(17-12)8-2-1-3-10(16)6-8/h1-7,16H
InChIKeyYTHPXIYEXPNKCL-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

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Related Compounds

4-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 135600436
3-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 43306267
5-chloro-2-[3-(chloromethyl)phenyl]-1,3-benzothiazole
CID 43303351
2,6-dichloro-4-(5-chloro-1,3-benzothiazol-2-yl)aniline
CID 82830212
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291592
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
3-(6-chloro-1,3-benzothiazol-2-yl)benzoic acid
CID 79528960
2-(3-bromophenyl)-6-chloro-1,3-benzothiazole
CID 95910629
4-(5-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 58828192
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
CID 135074846
2,3,4,5-tetrachloro-7-(5-chloro-1,3-benzothiazol-2-yl)-6-hydroxycyclohepta-2,4,6-trien-1-one
CID 137273565
3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide
CID 39826228

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 3-(5-chloro-1,3-benzothiazol-2-yl)phenol (CID 43087846) is 3-(5-chloro-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 3-(5-chloro-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 3-(5-chloro-1,3-benzothiazol-2-yl)phenol is Oc1cccc(-c2nc3cc(Cl)ccc3s2)c1.
What is the InChIKey of 3-(5-chloro-1,3-benzothiazol-2-yl)phenol?
The InChIKey is YTHPXIYEXPNKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNOS/c14-9-4-5-12-11(7-9)15-13(17-12)8-2-1-3-10(16)6-8/h1-7,16H.
What are the key properties of 3-(5-chloro-1,3-benzothiazol-2-yl)phenol?
3-(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 3-(5-chloro-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 43087846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).