6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide

C10H7N5OS — CID 50896034

IUPAC6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
SMILESNC(=O)c1nnc2sc(-c3ccccc3)nn12
InChIInChI=1S/C10H7N5OS/c11-7(16)8-12-13-10-15(8)14-9(17-10)6-4-2-1-3-5-6/h1-5H,(H2,11,16)
InChIKeyVDBRTKSVXDSLJN-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.95
Rot. Bonds2

About 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide

6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide (PubChem CID 50896034) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
PubChem CID50896034
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC Name6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
SMILESNC(=O)c1nnc2sc(-c3ccccc3)nn12
InChIInChI=1S/C10H7N5OS/c11-7(16)8-12-13-10-15(8)14-9(17-10)6-4-2-1-3-5-6/h1-5H,(H2,11,16)
InChIKeyVDBRTKSVXDSLJN-UHFFFAOYSA-N
XLogP0.95
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide 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

6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
CID 50896027
(4-methylpiperidin-1-yl)-(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methanone
CID 50896179
3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 6472760
7-(4-methylphenyl)-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 11840667
6-(4-bromophenyl)-N,N-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
CID 50896146
7-hydroxy-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135721986
6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carbonyl chloride
CID 50895897
6-phenyl-3-(2-phenylethylsulfanylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135637936
3-(tert-butylsulfanylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 134716756
propan-2-yl 6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxylate
CID 50896059
[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-piperidin-1-ylmethanone
CID 50895939
N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]-4-phenylbenzamide
CID 50810865

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide?
The IUPAC name of 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide (CID 50896034) is 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide.
What is the SMILES notation for 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide?
The canonical SMILES for 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide is NC(=O)c1nnc2sc(-c3ccccc3)nn12.
What is the InChIKey of 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide?
The InChIKey is VDBRTKSVXDSLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c11-7(16)8-12-13-10-15(8)14-9(17-10)6-4-2-1-3-5-6/h1-5H,(H2,11,16).
What are the key properties of 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide?
6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide has a molecular weight of 245.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide is sourced from PubChem (CID 50896034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).