4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine

C10H9F2N3S2 — CID 62188426

IUPAC4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CSc1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2N3S2/c1-13-10-9(14-15-17-10)5-16-6-2-3-7(11)8(12)4-6/h2-4,13H,5H2,1H3
InChIKeyXQGHNGXONLCAPM-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.15
Rot. Bonds4

About 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine

4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine (PubChem CID 62188426) has the molecular formula C10H9F2N3S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine
PubChem CID62188426
Molecular FormulaC10H9F2N3S2
Molecular Weight273.33 g/mol
Exact Mass273.02
IUPAC Name4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CSc1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2N3S2/c1-13-10-9(14-15-17-10)5-16-6-2-3-7(11)8(12)4-6/h2-4,13H,5H2,1H3
InChIKeyXQGHNGXONLCAPM-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine (CID 62188426) is 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine is CNc1snnc1CSc1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine?
The InChIKey is XQGHNGXONLCAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S2/c1-13-10-9(14-15-17-10)5-16-6-2-3-7(11)8(12)4-6/h2-4,13H,5H2,1H3.
What are the key properties of 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine?
4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine has a molecular weight of 273.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)sulfanylmethyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62188426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).