4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid

C4H4N4O3S — CID 154100974

IUPAC4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid
SMILESNNC(=O)c1nsnc1C(=O)O
InChIInChI=1S/C4H4N4O3S/c5-6-3(9)1-2(4(10)11)8-12-7-1/h5H2,(H,6,9)(H,10,11)
InChIKeyWFCRZBOACYCOIL-UHFFFAOYSA-N
MW188.17 g/mol
LogP-1.16
Rot. Bonds2

About 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid

4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid (PubChem CID 154100974) has the molecular formula C4H4N4O3S and a molecular weight of 188.17 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid
PubChem CID154100974
Molecular FormulaC4H4N4O3S
Molecular Weight188.17 g/mol
Exact Mass188.00
IUPAC Name4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid
SMILESNNC(=O)c1nsnc1C(=O)O
InChIInChI=1S/C4H4N4O3S/c5-6-3(9)1-2(4(10)11)8-12-7-1/h5H2,(H,6,9)(H,10,11)
InChIKeyWFCRZBOACYCOIL-UHFFFAOYSA-N
XLogP-1.16
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid?
The IUPAC name of 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid (CID 154100974) is 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid?
The canonical SMILES for 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid is NNC(=O)c1nsnc1C(=O)O.
What is the InChIKey of 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid?
The InChIKey is WFCRZBOACYCOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3S/c5-6-3(9)1-2(4(10)11)8-12-7-1/h5H2,(H,6,9)(H,10,11).
What are the key properties of 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid?
4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid has a molecular weight of 188.17 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)-1,2,5-thiadiazole-3-carboxylic acid is sourced from PubChem (CID 154100974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).