4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine

C12H13F2N3S2 — CID 55044713

IUPAC4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3S2/c1-2-5-15-12-10(16-17-19-12)7-18-11-6-8(13)3-4-9(11)14/h3-4,6,15H,2,5,7H2,1H3
InChIKeyNYGFPAMPFHTGAS-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.93
Rot. Bonds6

About 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine

4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine (PubChem CID 55044713) has the molecular formula C12H13F2N3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
PubChem CID55044713
Molecular FormulaC12H13F2N3S2
Molecular Weight301.39 g/mol
Exact Mass301.05
IUPAC Name4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3S2/c1-2-5-15-12-10(16-17-19-12)7-18-11-6-8(13)3-4-9(11)14/h3-4,6,15H,2,5,7H2,1H3
InChIKeyNYGFPAMPFHTGAS-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine (CID 55044713) is 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CSc1cc(F)ccc1F.
What is the InChIKey of 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The InChIKey is NYGFPAMPFHTGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S2/c1-2-5-15-12-10(16-17-19-12)7-18-11-6-8(13)3-4-9(11)14/h3-4,6,15H,2,5,7H2,1H3.
What are the key properties of 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine has a molecular weight of 301.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55044713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).