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

C10H8F3N3O3S — CID 107304292

IUPAC2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNc2nc(C(F)(F)F)ns2)cc1C(=O)O
InChIInChI=1S/C10H8F3N3O3S/c1-4-6(7(17)18)2-5(19-4)3-14-9-15-8(16-20-9)10(11,12)13/h2H,3H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyGNMVUOUBFMCRCY-UHFFFAOYSA-N
MW307.25 g/mol
LogP2.77
Rot. Bonds4

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

2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid (PubChem CID 107304292) has the molecular formula C10H8F3N3O3S and a molecular weight of 307.25 g/mol. Its IUPAC name is 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid
PubChem CID107304292
Molecular FormulaC10H8F3N3O3S
Molecular Weight307.25 g/mol
Exact Mass307.02
IUPAC Name2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNc2nc(C(F)(F)F)ns2)cc1C(=O)O
InChIInChI=1S/C10H8F3N3O3S/c1-4-6(7(17)18)2-5(19-4)3-14-9-15-8(16-20-9)10(11,12)13/h2H,3H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyGNMVUOUBFMCRCY-UHFFFAOYSA-N
XLogP2.77
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid (CID 107304292) is 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNc2nc(C(F)(F)F)ns2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is GNMVUOUBFMCRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S/c1-4-6(7(17)18)2-5(19-4)3-14-9-15-8(16-20-9)10(11,12)13/h2H,3H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 307.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 107304292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).