5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid

C9H6F3N3O3S — CID 107304396

IUPAC5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2nc(C(F)(F)F)ns2)o1
InChIInChI=1S/C9H6F3N3O3S/c10-9(11,12)7-14-8(19-15-7)13-3-4-1-2-5(18-4)6(16)17/h1-2H,3H2,(H,16,17)(H,13,14,15)
InChIKeyKMAXXZLFMRGIJJ-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.46
Rot. Bonds4

About 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid

5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid (PubChem CID 107304396) has the molecular formula C9H6F3N3O3S and a molecular weight of 293.23 g/mol. Its IUPAC name is 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid
PubChem CID107304396
Molecular FormulaC9H6F3N3O3S
Molecular Weight293.23 g/mol
Exact Mass293.01
IUPAC Name5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2nc(C(F)(F)F)ns2)o1
InChIInChI=1S/C9H6F3N3O3S/c10-9(11,12)7-14-8(19-15-7)13-3-4-1-2-5(18-4)6(16)17/h1-2H,3H2,(H,16,17)(H,13,14,15)
InChIKeyKMAXXZLFMRGIJJ-UHFFFAOYSA-N
XLogP2.46
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid (CID 107304396) is 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNc2nc(C(F)(F)F)ns2)o1.
What is the InChIKey of 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is KMAXXZLFMRGIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3S/c10-9(11,12)7-14-8(19-15-7)13-3-4-1-2-5(18-4)6(16)17/h1-2H,3H2,(H,16,17)(H,13,14,15).
What are the key properties of 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid?
5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 293.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 107304396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).