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

C8H7N3S — CID 554203

IUPAC5-phenyl-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(-c2ccccc2)n1
InChIInChI=1S/C8H7N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKeyWOZDQVLZCXNJPY-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.79
Rot. Bonds1

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

5-phenyl-1,2,4-thiadiazol-3-amine (PubChem CID 554203) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 5-phenyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-1,2,4-thiadiazol-3-amine
PubChem CID554203
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name5-phenyl-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(-c2ccccc2)n1
InChIInChI=1S/C8H7N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKeyWOZDQVLZCXNJPY-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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-phenyl-1,2,4-thiadiazol-3-amine (CID 554203) is 5-phenyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-phenyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-phenyl-1,2,4-thiadiazol-3-amine is Nc1nsc(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-1,2,4-thiadiazol-3-amine?
The InChIKey is WOZDQVLZCXNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11).
What are the key properties of 5-phenyl-1,2,4-thiadiazol-3-amine?
5-phenyl-1,2,4-thiadiazol-3-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 5-phenyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 554203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).