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

C16H13F2N3S — CID 3878940

IUPACN,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(CNc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C16H13F2N3S/c17-13-5-1-11(2-6-13)9-15-20-16(22-21-15)19-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,20,21)
InChIKeyRGBOKLRUVNDGRB-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.02
Rot. Bonds5

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

N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 3878940) has the molecular formula C16H13F2N3S and a molecular weight of 317.36 g/mol. Its IUPAC name is N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID3878940
Molecular FormulaC16H13F2N3S
Molecular Weight317.36 g/mol
Exact Mass317.08
IUPAC NameN,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(CNc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C16H13F2N3S/c17-13-5-1-11(2-6-13)9-15-20-16(22-21-15)19-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,20,21)
InChIKeyRGBOKLRUVNDGRB-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 3878940) is N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is Fc1ccc(CNc2nc(Cc3ccc(F)cc3)ns2)cc1.
What is the InChIKey of N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is RGBOKLRUVNDGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3S/c17-13-5-1-11(2-6-13)9-15-20-16(22-21-15)19-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,20,21).
What are the key properties of N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 317.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 3878940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).