[4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine

C9H7F2N3S — CID 65207998

IUPAC[4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine
SMILESNCc1snnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2N3S/c10-6-2-1-5(3-7(6)11)9-8(4-12)15-14-13-9/h1-3H,4,12H2
InChIKeyWPVKUCYIIZUGSZ-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.94
Rot. Bonds2

About [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine

[4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine (PubChem CID 65207998) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine
PubChem CID65207998
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name[4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine
SMILESNCc1snnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2N3S/c10-6-2-1-5(3-7(6)11)9-8(4-12)15-14-13-9/h1-3H,4,12H2
InChIKeyWPVKUCYIIZUGSZ-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine?
The IUPAC name of [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine (CID 65207998) is [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine.
What is the SMILES notation for [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine?
The canonical SMILES for [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine is NCc1snnc1-c1ccc(F)c(F)c1.
What is the InChIKey of [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine?
The InChIKey is WPVKUCYIIZUGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c10-6-2-1-5(3-7(6)11)9-8(4-12)15-14-13-9/h1-3H,4,12H2.
What are the key properties of [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine?
[4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine has a molecular weight of 227.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)thiadiazol-5-yl]methanamine is sourced from PubChem (CID 65207998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).