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

C10H6N2S2 — CID 13331898

IUPAC2-(1,3-thiazol-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3nccs3)nc2c1
InChIInChI=1S/C10H6N2S2/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9/h1-6H
InChIKeyOFPLWAOEAHGPCV-UHFFFAOYSA-N
MW218.31 g/mol
LogP3.42
Rot. Bonds1

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

2-(1,3-thiazol-2-yl)-1,3-benzothiazole (PubChem CID 13331898) has the molecular formula C10H6N2S2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1,3-benzothiazole
PubChem CID13331898
Molecular FormulaC10H6N2S2
Molecular Weight218.31 g/mol
Exact Mass218.00
IUPAC Name2-(1,3-thiazol-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3nccs3)nc2c1
InChIInChI=1S/C10H6N2S2/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9/h1-6H
InChIKeyOFPLWAOEAHGPCV-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-thiazol-2-yl)-1,3-benzothiazole 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 2-(1,3-thiazol-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1,3-benzothiazole (CID 13331898) is 2-(1,3-thiazol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1,3-benzothiazole is c1ccc2sc(-c3nccs3)nc2c1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1,3-benzothiazole?
The InChIKey is OFPLWAOEAHGPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S2/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9/h1-6H.
What are the key properties of 2-(1,3-thiazol-2-yl)-1,3-benzothiazole?
2-(1,3-thiazol-2-yl)-1,3-benzothiazole has a molecular weight of 218.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 13331898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).