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

C14H9F2N3S — CID 5270827

IUPACN,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C14H9F2N3S/c15-10-3-1-9(2-4-10)13-18-19-14(20-13)17-12-7-5-11(16)6-8-12/h1-8H,(H,17,19)
InChIKeyJVXRQUXWEVWAKJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.23
Rot. Bonds3

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

N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 5270827) has the molecular formula C14H9F2N3S and a molecular weight of 289.31 g/mol. Its IUPAC name is N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID5270827
Molecular FormulaC14H9F2N3S
Molecular Weight289.31 g/mol
Exact Mass289.05
IUPAC NameN,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C14H9F2N3S/c15-10-3-1-9(2-4-10)13-18-19-14(20-13)17-12-7-5-11(16)6-8-12/h1-8H,(H,17,19)
InChIKeyJVXRQUXWEVWAKJ-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 5270827) is N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JVXRQUXWEVWAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3S/c15-10-3-1-9(2-4-10)13-18-19-14(20-13)17-12-7-5-11(16)6-8-12/h1-8H,(H,17,19).
What are the key properties of N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 289.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).