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

C8H10F3N3OS — CID 107305079

IUPACN-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1OCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H10F3N3OS/c1-4-5(2-3-15-4)12-7-13-6(14-16-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyMSLIKCVUGQUFGG-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.15
Rot. Bonds2

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

N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305079) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305079
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1OCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H10F3N3OS/c1-4-5(2-3-15-4)12-7-13-6(14-16-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyMSLIKCVUGQUFGG-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-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305079) is N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1OCCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MSLIKCVUGQUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-4-5(2-3-15-4)12-7-13-6(14-16-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-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-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).