N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H12F3N3OS — CID 107304794

IUPACN-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCC2CCCO2)n1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-4-3-6-2-1-5-16-6/h6H,1-5H2,(H,13,14,15)
InChIKeyDXOMHZWUEAQWQO-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304794) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304794
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCC2CCCO2)n1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-4-3-6-2-1-5-16-6/h6H,1-5H2,(H,13,14,15)
InChIKeyDXOMHZWUEAQWQO-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304794) is N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCC2CCCO2)n1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DXOMHZWUEAQWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-4-3-6-2-1-5-16-6/h6H,1-5H2,(H,13,14,15).
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 267.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).