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

C8H10F3N3OS — CID 107305153

IUPACN-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1(Nc2nc(C(F)(F)F)ns2)CCOC1
InChIInChI=1S/C8H10F3N3OS/c1-7(2-3-15-4-7)13-6-12-5(14-16-6)8(9,10)11/h2-4H2,1H3,(H,12,13,14)
InChIKeyAMDJLRBUBXFTEA-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.15
Rot. Bonds2

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

N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305153) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305153
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1(Nc2nc(C(F)(F)F)ns2)CCOC1
InChIInChI=1S/C8H10F3N3OS/c1-7(2-3-15-4-7)13-6-12-5(14-16-6)8(9,10)11/h2-4H2,1H3,(H,12,13,14)
InChIKeyAMDJLRBUBXFTEA-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305153) is N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1(Nc2nc(C(F)(F)F)ns2)CCOC1.
What is the InChIKey of N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AMDJLRBUBXFTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-7(2-3-15-4-7)13-6-12-5(14-16-6)8(9,10)11/h2-4H2,1H3,(H,12,13,14).
What are the key properties of N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 253.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).