3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol

C12H8N2OS2 — CID 64993453

IUPAC3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3nccs3)cs2)c1
InChIInChI=1S/C12H8N2OS2/c15-9-3-1-2-8(6-9)11-14-10(7-17-11)12-13-4-5-16-12/h1-7,15H
InChIKeyXVSGQCRQWQXKIL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.64
Rot. Bonds2

About 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol

3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol (PubChem CID 64993453) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
PubChem CID64993453
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3nccs3)cs2)c1
InChIInChI=1S/C12H8N2OS2/c15-9-3-1-2-8(6-9)11-14-10(7-17-11)12-13-4-5-16-12/h1-7,15H
InChIKeyXVSGQCRQWQXKIL-UHFFFAOYSA-N
XLogP3.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(1,3-thiazol-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol (CID 64993453) is 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol is Oc1cccc(-c2nc(-c3nccs3)cs2)c1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol?
The InChIKey is XVSGQCRQWQXKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS2/c15-9-3-1-2-8(6-9)11-14-10(7-17-11)12-13-4-5-16-12/h1-7,15H.
What are the key properties of 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol?
3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol has a molecular weight of 260.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 64993453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).