5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid

C9H8N2O4S — CID 106947311

IUPAC5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid
SMILESCc1nnsc1C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C9H8N2O4S/c1-4-8(16-11-10-4)7(12)5-2-3-6(15-5)9(13)14/h2-3,7,12H,1H3,(H,13,14)
InChIKeyAIPHJNPGVDYWOA-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.22
Rot. Bonds3

About 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid

5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid (PubChem CID 106947311) has the molecular formula C9H8N2O4S and a molecular weight of 240.24 g/mol. Its IUPAC name is 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid
PubChem CID106947311
Molecular FormulaC9H8N2O4S
Molecular Weight240.24 g/mol
Exact Mass240.02
IUPAC Name5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid
SMILESCc1nnsc1C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C9H8N2O4S/c1-4-8(16-11-10-4)7(12)5-2-3-6(15-5)9(13)14/h2-3,7,12H,1H3,(H,13,14)
InChIKeyAIPHJNPGVDYWOA-UHFFFAOYSA-N
XLogP1.22
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid (CID 106947311) is 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid is Cc1nnsc1C(O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid?
The InChIKey is AIPHJNPGVDYWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S/c1-4-8(16-11-10-4)7(12)5-2-3-6(15-5)9(13)14/h2-3,7,12H,1H3,(H,13,14).
What are the key properties of 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid?
5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106947311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).