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

C14H10FN3S — CID 5270838

IUPACN-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10FN3S/c15-11-6-8-12(9-7-11)16-14-18-17-13(19-14)10-4-2-1-3-5-10/h1-9H,(H,16,18)
InChIKeyPDTQGVDIJNDFPV-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.09
Rot. Bonds3

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

N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 5270838) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID5270838
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC NameN-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10FN3S/c15-11-6-8-12(9-7-11)16-14-18-17-13(19-14)10-4-2-1-3-5-10/h1-9H,(H,16,18)
InChIKeyPDTQGVDIJNDFPV-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 N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine (CID 5270838) is N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PDTQGVDIJNDFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c15-11-6-8-12(9-7-11)16-14-18-17-13(19-14)10-4-2-1-3-5-10/h1-9H,(H,16,18).
What are the key properties of N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-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 N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).