3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine

C14H10FN3S — CID 34318884

IUPAC3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(-c2nsc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C14H10FN3S/c15-11-8-6-10(7-9-11)13-17-14(19-18-13)16-12-4-2-1-3-5-12/h1-9H,(H,16,17,18)
InChIKeyHQPURIIZTNRODR-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.09
Rot. Bonds3

About 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine

3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 34318884) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID34318884
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC Name3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(-c2nsc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C14H10FN3S/c15-11-8-6-10(7-9-11)13-17-14(19-18-13)16-12-4-2-1-3-5-12/h1-9H,(H,16,17,18)
InChIKeyHQPURIIZTNRODR-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine (CID 34318884) is 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine is Fc1ccc(-c2nsc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HQPURIIZTNRODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c15-11-8-6-10(7-9-11)13-17-14(19-18-13)16-12-4-2-1-3-5-12/h1-9H,(H,16,17,18).
What are the key properties of 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine?
3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 271.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 34318884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).