4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol

C15H13N5OS2 — CID 135923330

IUPAC4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
SMILESCC(C)c1csc(-c2nnc3sc(-c4ccc(O)cc4)nn23)n1
InChIInChI=1S/C15H13N5OS2/c1-8(2)11-7-22-14(16-11)12-17-18-15-20(12)19-13(23-15)9-3-5-10(21)6-4-9/h3-8,21H,1-2H3
InChIKeyNVROPFRHYGNFHW-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.81
Rot. Bonds3

About 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol

4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol (PubChem CID 135923330) has the molecular formula C15H13N5OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
PubChem CID135923330
Molecular FormulaC15H13N5OS2
Molecular Weight343.44 g/mol
Exact Mass343.06
IUPAC Name4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
SMILESCC(C)c1csc(-c2nnc3sc(-c4ccc(O)cc4)nn23)n1
InChIInChI=1S/C15H13N5OS2/c1-8(2)11-7-22-14(16-11)12-17-18-15-20(12)19-13(23-15)9-3-5-10(21)6-4-9/h3-8,21H,1-2H3
InChIKeyNVROPFRHYGNFHW-UHFFFAOYSA-N
XLogP3.81
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-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 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol?
The IUPAC name of 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol (CID 135923330) is 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol.
What is the SMILES notation for 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol?
The canonical SMILES for 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol is CC(C)c1csc(-c2nnc3sc(-c4ccc(O)cc4)nn23)n1.
What is the InChIKey of 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol?
The InChIKey is NVROPFRHYGNFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS2/c1-8(2)11-7-22-14(16-11)12-17-18-15-20(12)19-13(23-15)9-3-5-10(21)6-4-9/h3-8,21H,1-2H3.
What are the key properties of 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol?
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol has a molecular weight of 343.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol is sourced from PubChem (CID 135923330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).