N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H6F3N3OS — CID 107304641

IUPACN-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCc2ccco2)n1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-4-5-2-1-3-15-5/h1-3H,4H2,(H,12,13,14)
InChIKeyCAOJUDUZABXFRC-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.76
Rot. Bonds3

About N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304641) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304641
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC NameN-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCc2ccco2)n1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-4-5-2-1-3-15-5/h1-3H,4H2,(H,12,13,14)
InChIKeyCAOJUDUZABXFRC-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304641) is N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CAOJUDUZABXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-4-5-2-1-3-15-5/h1-3H,4H2,(H,12,13,14).
What are the key properties of N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 249.22 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).