N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C6H8F3N3OS2 — CID 114448573

IUPACN-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCS(=O)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3OS2/c1-15(13)3-2-10-5-12-11-4(14-5)6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyJHYRZWUPOKYZAV-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.35
Rot. Bonds4

About N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448573) has the molecular formula C6H8F3N3OS2 and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448573
Molecular FormulaC6H8F3N3OS2
Molecular Weight259.28 g/mol
Exact Mass259.01
IUPAC NameN-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCS(=O)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3OS2/c1-15(13)3-2-10-5-12-11-4(14-5)6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyJHYRZWUPOKYZAV-UHFFFAOYSA-N
XLogP1.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 13229757
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545056
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
5-Sulfanylmethyl(ethyl)-1,3,4-thiadiazol-2-amine
CID 166001509
5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48915077
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670
N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164
N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 91636363
5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 102809257
N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105779755
N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
CID 106337878

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448573) is N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CS(=O)CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JHYRZWUPOKYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS2/c1-15(13)3-2-10-5-12-11-4(14-5)6(7,8)9/h2-3H2,1H3,(H,10,12).
What are the key properties of N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 259.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).