3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine

C9H7F2N3S — CID 65269255

IUPAC3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(-c2cc(F)cc(F)c2)ns1
InChIInChI=1S/C9H7F2N3S/c1-12-9-13-8(14-15-9)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H,12,13,14)
InChIKeyFEFOWJZAJMCWGF-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.53
Rot. Bonds2

About 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine

3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65269255) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65269255
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(-c2cc(F)cc(F)c2)ns1
InChIInChI=1S/C9H7F2N3S/c1-12-9-13-8(14-15-9)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H,12,13,14)
InChIKeyFEFOWJZAJMCWGF-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 65269255) is 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(-c2cc(F)cc(F)c2)ns1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FEFOWJZAJMCWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c1-12-9-13-8(14-15-9)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H,12,13,14).
What are the key properties of 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 227.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).