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

C7H10F3N3OS2 — CID 107305158

IUPACN-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CS(C)=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS2/c1-4(3-16(2)14)11-6-12-5(13-15-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyJBCGIFGFHYPDQE-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.74
Rot. Bonds4

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

N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305158) has the molecular formula C7H10F3N3OS2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305158
Molecular FormulaC7H10F3N3OS2
Molecular Weight273.31 g/mol
Exact Mass273.02
IUPAC NameN-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CS(C)=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS2/c1-4(3-16(2)14)11-6-12-5(13-15-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyJBCGIFGFHYPDQE-UHFFFAOYSA-N
XLogP1.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894459
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894467
3-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 104952706
N-(2-ethylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105779862
N-(3-methylsulfanylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105881256
N-(5-methylsulfanylpentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105912649
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106337790
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106338946
3-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106430765
3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106430989
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304675

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305158) is N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(CS(C)=O)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JBCGIFGFHYPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS2/c1-4(3-16(2)14)11-6-12-5(13-15-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 273.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).