N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C13H14F3N3O2S — CID 124880308

IUPACN-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(N(Cc2ccco2)C[C@@H]2CCCO2)n1
InChIInChI=1S/C13H14F3N3O2S/c14-13(15,16)11-17-12(22-18-11)19(7-9-3-1-5-20-9)8-10-4-2-6-21-10/h1,3,5,10H,2,4,6-8H2/t10-/m0/s1
InChIKeyFVDYNDCAQLTSTE-JTQLQIEISA-N
MW333.34 g/mol
LogP3.34
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 124880308) has the molecular formula C13H14F3N3O2S and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID124880308
Molecular FormulaC13H14F3N3O2S
Molecular Weight333.34 g/mol
Exact Mass333.08
IUPAC NameN-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(N(Cc2ccco2)C[C@@H]2CCCO2)n1
InChIInChI=1S/C13H14F3N3O2S/c14-13(15,16)11-17-12(22-18-11)19(7-9-3-1-5-20-9)8-10-4-2-6-21-10/h1,3,5,10H,2,4,6-8H2/t10-/m0/s1
InChIKeyFVDYNDCAQLTSTE-JTQLQIEISA-N
XLogP3.34
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 124880308) is N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(N(Cc2ccco2)C[C@@H]2CCCO2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FVDYNDCAQLTSTE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14F3N3O2S/c14-13(15,16)11-17-12(22-18-11)19(7-9-3-1-5-20-9)8-10-4-2-6-21-10/h1,3,5,10H,2,4,6-8H2/t10-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 333.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 124880308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).