5-methoxycarbonylthiadiazole-4-carboxylic acid

C5H4N2O4S — CID 117214791

IUPAC5-methoxycarbonylthiadiazole-4-carboxylic acid
SMILESCOC(=O)c1snnc1C(=O)O
InChIInChI=1S/C5H4N2O4S/c1-11-5(10)3-2(4(8)9)6-7-12-3/h1H3,(H,8,9)
InChIKeyRBNWADCPLCFXJG-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.02
Rot. Bonds2

About 5-methoxycarbonylthiadiazole-4-carboxylic acid

5-methoxycarbonylthiadiazole-4-carboxylic acid (PubChem CID 117214791) has the molecular formula C5H4N2O4S and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-methoxycarbonylthiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonylthiadiazole-4-carboxylic acid
PubChem CID117214791
Molecular FormulaC5H4N2O4S
Molecular Weight188.16 g/mol
Exact Mass187.99
IUPAC Name5-methoxycarbonylthiadiazole-4-carboxylic acid
SMILESCOC(=O)c1snnc1C(=O)O
InChIInChI=1S/C5H4N2O4S/c1-11-5(10)3-2(4(8)9)6-7-12-3/h1H3,(H,8,9)
InChIKeyRBNWADCPLCFXJG-UHFFFAOYSA-N
XLogP0.02
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylthiadiazole-4-carboxylic acid?
The IUPAC name of 5-methoxycarbonylthiadiazole-4-carboxylic acid (CID 117214791) is 5-methoxycarbonylthiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonylthiadiazole-4-carboxylic acid?
The canonical SMILES for 5-methoxycarbonylthiadiazole-4-carboxylic acid is COC(=O)c1snnc1C(=O)O.
What is the InChIKey of 5-methoxycarbonylthiadiazole-4-carboxylic acid?
The InChIKey is RBNWADCPLCFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4S/c1-11-5(10)3-2(4(8)9)6-7-12-3/h1H3,(H,8,9).
What are the key properties of 5-methoxycarbonylthiadiazole-4-carboxylic acid?
5-methoxycarbonylthiadiazole-4-carboxylic acid has a molecular weight of 188.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonylthiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).