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

C13H14F3N3O2S — CID 124880309

IUPACN-(furan-2-ylmethyl)-N-[[(2R)-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-/m1/s1
InChIKeyFVDYNDCAQLTSTE-SNVBAGLBSA-N
MW333.34 g/mol
LogP3.34
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 124880309) has the molecular formula C13H14F3N3O2S and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID124880309
Molecular FormulaC13H14F3N3O2S
Molecular Weight333.34 g/mol
Exact Mass333.08
IUPAC NameN-(furan-2-ylmethyl)-N-[[(2R)-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-/m1/s1
InChIKeyFVDYNDCAQLTSTE-SNVBAGLBSA-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

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

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Related Compounds

N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 47537127
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 47537063
N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126769853
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(2-fluorophenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 86842664
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 97231281

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 124880309) is N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[(2R)-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-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FVDYNDCAQLTSTE-SNVBAGLBSA-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-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(furan-2-ylmethyl)-N-[[(2R)-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-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 124880309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).