2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol

C9H6ClNO2S — CID 137224845

IUPAC2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol
SMILESOc1ccc(-c2nc(O)cs2)c(Cl)c1
InChIInChI=1S/C9H6ClNO2S/c10-7-3-5(12)1-2-6(7)9-11-8(13)4-14-9/h1-4,12-13H
InChIKeyVRSKHOYBFJUQKH-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.87
Rot. Bonds1

About 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol

2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol (PubChem CID 137224845) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol
PubChem CID137224845
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Name2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol
SMILESOc1ccc(-c2nc(O)cs2)c(Cl)c1
InChIInChI=1S/C9H6ClNO2S/c10-7-3-5(12)1-2-6(7)9-11-8(13)4-14-9/h1-4,12-13H
InChIKeyVRSKHOYBFJUQKH-UHFFFAOYSA-N
XLogP2.87
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)thiophen-3-yl]phenol
CID 71624574
4-(2H-azirin-3-yl)-3-chlorophenol
CID 163568655
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-ol
CID 130501515
bis(3,4-dichlorophenol);zirconium
CID 161397670
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
2-phenyl-1,3-thiazol-4-ol
CID 568728
4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
CID 142618257
[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892139
3-chloro-4-(4-fluorophenyl)phenol
CID 46314342
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515973
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol (CID 137224845) is 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol is Oc1ccc(-c2nc(O)cs2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol?
The InChIKey is VRSKHOYBFJUQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c10-7-3-5(12)1-2-6(7)9-11-8(13)4-14-9/h1-4,12-13H.
What are the key properties of 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol?
2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol has a molecular weight of 227.67 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 137224845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).