5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid

C8H6N2O3S2 — CID 62269749

IUPAC5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(CSc2nncs2)c1
InChIInChI=1S/C8H6N2O3S2/c11-7(12)5-1-6(13-2-5)3-14-8-10-9-4-15-8/h1-2,4H,3H2,(H,11,12)
InChIKeyNJAOEOKAYMEUPT-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.12
Rot. Bonds4

About 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid

5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid (PubChem CID 62269749) has the molecular formula C8H6N2O3S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
PubChem CID62269749
Molecular FormulaC8H6N2O3S2
Molecular Weight242.28 g/mol
Exact Mass241.98
IUPAC Name5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(CSc2nncs2)c1
InChIInChI=1S/C8H6N2O3S2/c11-7(12)5-1-6(13-2-5)3-14-8-10-9-4-15-8/h1-2,4H,3H2,(H,11,12)
InChIKeyNJAOEOKAYMEUPT-UHFFFAOYSA-N
XLogP2.12
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid?
The IUPAC name of 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid (CID 62269749) is 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid is O=C(O)c1coc(CSc2nncs2)c1.
What is the InChIKey of 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid?
The InChIKey is NJAOEOKAYMEUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S2/c11-7(12)5-1-6(13-2-5)3-14-8-10-9-4-15-8/h1-2,4H,3H2,(H,11,12).
What are the key properties of 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid?
5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 62269749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).