3-phenyl-1,2,4-thiadiazol-5-amine

C8H7N3S — CID 28561

IUPAC3-phenyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccccc2)ns1
InChIInChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKeyOYAHSBDYBOBAAQ-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.79
Rot. Bonds1

About 3-phenyl-1,2,4-thiadiazol-5-amine

3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 28561) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID28561
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name3-phenyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccccc2)ns1
InChIInChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKeyOYAHSBDYBOBAAQ-UHFFFAOYSA-N
XLogP1.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-1,2,4-thiadiazol-5-amine 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

1,2,4-Thiadiazole, 3,5-diphenyl-
CID 165184
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
5-Phenyl-1,2,4-thiadiazol-3-amine
CID 554203
1-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazine
CID 2777760
5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine
CID 2794757
5-Chloro-3-phenyl-1,2,4-thiadiazole
CID 32262
N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 852344
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 852345
2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182197
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
3,5-Bis(3-methylphenyl)-1,2,4-thiadiazole
CID 12846880
3,5-Bis(4-fluorophenyl)-1,2,4-thiadiazole
CID 46834487

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-phenyl-1,2,4-thiadiazol-5-amine (CID 28561) is 3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-phenyl-1,2,4-thiadiazol-5-amine is Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OYAHSBDYBOBAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11).
What are the key properties of 3-phenyl-1,2,4-thiadiazol-5-amine?
3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 177.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 28561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).