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

C8H10F3N3OS2 — CID 107305150

IUPACN-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESO=S1CCC(Nc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C8H10F3N3OS2/c9-8(10,11)6-13-7(16-14-6)12-5-1-3-17(15)4-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyUKJYGRLNJKLXCS-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.88
Rot. Bonds2

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

N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305150) has the molecular formula C8H10F3N3OS2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305150
Molecular FormulaC8H10F3N3OS2
Molecular Weight285.32 g/mol
Exact Mass285.02
IUPAC NameN-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESO=S1CCC(Nc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C8H10F3N3OS2/c9-8(10,11)6-13-7(16-14-6)12-5-1-3-17(15)4-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyUKJYGRLNJKLXCS-UHFFFAOYSA-N
XLogP1.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(8S)-5,5-dioxo-5lambda6-thiaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 164631875
N-(2-ethylsulfanylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105863819
N-(3-methylsulfanylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105878925
N-(4-methylsulfanylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105880453
N-(3-ethylsulfanylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105882101
N-(5-methylsulfanylpentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105912649
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304675
N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304731
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304786
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304964
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304966
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304992

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305150) is N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is O=S1CCC(Nc2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UKJYGRLNJKLXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS2/c9-8(10,11)6-13-7(16-14-6)12-5-1-3-17(15)4-2-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 285.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).