6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C14H9ClN4S2 — CID 736534

IUPAC6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESClc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1
InChIInChI=1S/C14H9ClN4S2/c15-10-5-3-9(4-6-10)11-8-21-14-17-16-13(19(14)18-11)12-2-1-7-20-12/h1-7H,8H2
InChIKeyNBRZBWWDYQGACM-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.02
Rot. Bonds2

About 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 736534) has the molecular formula C14H9ClN4S2 and a molecular weight of 332.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID736534
Molecular FormulaC14H9ClN4S2
Molecular Weight332.84 g/mol
Exact Mass332.00
IUPAC Name6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESClc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1
InChIInChI=1S/C14H9ClN4S2/c15-10-5-3-9(4-6-10)11-8-21-14-17-16-13(19(14)18-11)12-2-1-7-20-12/h1-7H,8H2
InChIKeyNBRZBWWDYQGACM-UHFFFAOYSA-N
XLogP4.02
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 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 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 736534) is 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Clc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is NBRZBWWDYQGACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4S2/c15-10-5-3-9(4-6-10)11-8-21-14-17-16-13(19(14)18-11)12-2-1-7-20-12/h1-7H,8H2.
What are the key properties of 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 332.84 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 736534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).