N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine

C15H12N4S — CID 6447973

IUPACN-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine
SMILESC(=C/c1ccc(Nc2nnns2)cc1)\c1ccccc1
InChIInChI=1S/C15H12N4S/c1-2-4-12(5-3-1)6-7-13-8-10-14(11-9-13)16-15-17-18-19-20-15/h1-11H,(H,16,17,19)/b7-6+
InChIKeyCHVLTDQLUIYNGG-VOTSOKGWSA-N
MW280.36 g/mol
LogP3.85
Rot. Bonds4

About N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine

N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine (PubChem CID 6447973) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine
PubChem CID6447973
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC NameN-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine
SMILESC(=C/c1ccc(Nc2nnns2)cc1)\c1ccccc1
InChIInChI=1S/C15H12N4S/c1-2-4-12(5-3-1)6-7-13-8-10-14(11-9-13)16-15-17-18-19-20-15/h1-11H,(H,16,17,19)/b7-6+
InChIKeyCHVLTDQLUIYNGG-VOTSOKGWSA-N
XLogP3.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine?
The IUPAC name of N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine (CID 6447973) is N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine.
What is the SMILES notation for N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine?
The canonical SMILES for N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine is C(=C/c1ccc(Nc2nnns2)cc1)\c1ccccc1.
What is the InChIKey of N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine?
The InChIKey is CHVLTDQLUIYNGG-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12N4S/c1-2-4-12(5-3-1)6-7-13-8-10-14(11-9-13)16-15-17-18-19-20-15/h1-11H,(H,16,17,19)/b7-6+.
What are the key properties of N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine?
N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine has a molecular weight of 280.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine is sourced from PubChem (CID 6447973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).