N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

C17H15F2N3S — CID 70975288

IUPACN-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(CCNc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C17H15F2N3S/c18-14-5-1-12(2-6-14)9-10-20-17-21-16(22-23-17)11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,21,22)
InChIKeyJWHWYDQNKZRUJT-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 70975288) has the molecular formula C17H15F2N3S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID70975288
Molecular FormulaC17H15F2N3S
Molecular Weight331.39 g/mol
Exact Mass331.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(CCNc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C17H15F2N3S/c18-14-5-1-12(2-6-14)9-10-20-17-21-16(22-23-17)11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,21,22)
InChIKeyJWHWYDQNKZRUJT-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 70975288) is N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is Fc1ccc(CCNc2nc(Cc3ccc(F)cc3)ns2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is JWHWYDQNKZRUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3S/c18-14-5-1-12(2-6-14)9-10-20-17-21-16(22-23-17)11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 331.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 70975288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).