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

C15H12FN3S — CID 156770995

IUPACN-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C15H12FN3S/c1-10-2-4-11(5-3-10)14-18-19-15(20-14)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H,17,19)
InChIKeyGFHLQUBJEBTLNB-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.40
Rot. Bonds3

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

N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 156770995) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID156770995
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC NameN-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C15H12FN3S/c1-10-2-4-11(5-3-10)14-18-19-15(20-14)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H,17,19)
InChIKeyGFHLQUBJEBTLNB-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 156770995) is N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(-c2nnc(Nc3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GFHLQUBJEBTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c1-10-2-4-11(5-3-10)14-18-19-15(20-14)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 156770995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).