3-(1,3-thiazol-2-yl)phenol

C9H7NOS — CID 57284827

IUPAC3-(1,3-thiazol-2-yl)phenol
SMILESOc1cccc(-c2nccs2)c1
InChIInChI=1S/C9H7NOS/c11-8-3-1-2-7(6-8)9-10-4-5-12-9/h1-6,11H
InChIKeyFSOFDTPOJDKPQV-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.52
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)phenol

3-(1,3-thiazol-2-yl)phenol (PubChem CID 57284827) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)phenol
PubChem CID57284827
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name3-(1,3-thiazol-2-yl)phenol
SMILESOc1cccc(-c2nccs2)c1
InChIInChI=1S/C9H7NOS/c11-8-3-1-2-7(6-8)9-10-4-5-12-9/h1-6,11H
InChIKeyFSOFDTPOJDKPQV-UHFFFAOYSA-N
XLogP2.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-thiazol-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

CID 223840
CID 223840
CID 25093373
CID 25093373
CID 25093374
CID 25093374
CID 25093377
CID 25093377
CID 135899471
CID 135899471
CID 135616172
CID 135616172
CID 135923568
CID 135923568
CID 136265456
CID 136265456
CID 23289294
CID 23289294
CID 135897869
CID 135897869
CID 89721338
CID 89721338
CID 24229487
CID 24229487

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)phenol?
The IUPAC name of 3-(1,3-thiazol-2-yl)phenol (CID 57284827) is 3-(1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)phenol?
The canonical SMILES for 3-(1,3-thiazol-2-yl)phenol is Oc1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)phenol?
The InChIKey is FSOFDTPOJDKPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-8-3-1-2-7(6-8)9-10-4-5-12-9/h1-6,11H.
What are the key properties of 3-(1,3-thiazol-2-yl)phenol?
3-(1,3-thiazol-2-yl)phenol has a molecular weight of 177.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 57284827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).