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

C9H7F2N3S — CID 105141972

IUPAC(3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1csnn1
InChIInChI=1S/C9H7F2N3S/c10-6-1-5(2-7(11)3-6)9(12)8-4-15-14-13-8/h1-4,9H,12H2
InChIKeyZJTLZRLNIOFJMR-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.86
Rot. Bonds2

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

(3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine (PubChem CID 105141972) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine
PubChem CID105141972
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name(3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1csnn1
InChIInChI=1S/C9H7F2N3S/c10-6-1-5(2-7(11)3-6)9(12)8-4-15-14-13-8/h1-4,9H,12H2
InChIKeyZJTLZRLNIOFJMR-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine (CID 105141972) is (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine is NC(c1cc(F)cc(F)c1)c1csnn1.
What is the InChIKey of (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine?
The InChIKey is ZJTLZRLNIOFJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c10-6-1-5(2-7(11)3-6)9(12)8-4-15-14-13-8/h1-4,9H,12H2.
What are the key properties of (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine?
(3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine has a molecular weight of 227.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105141972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).