4-carbamoylthiadiazole-5-carboxylic acid

C4H3N3O3S — CID 70550575

IUPAC4-carbamoylthiadiazole-5-carboxylic acid
SMILESNC(=O)c1nnsc1C(=O)O
InChIInChI=1S/C4H3N3O3S/c5-3(8)1-2(4(9)10)11-7-6-1/h(H2,5,8)(H,9,10)
InChIKeyLWWNPZCMMGAXLG-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.66
Rot. Bonds2

About 4-carbamoylthiadiazole-5-carboxylic acid

4-carbamoylthiadiazole-5-carboxylic acid (PubChem CID 70550575) has the molecular formula C4H3N3O3S and a molecular weight of 173.15 g/mol. Its IUPAC name is 4-carbamoylthiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-carbamoylthiadiazole-5-carboxylic acid
PubChem CID70550575
Molecular FormulaC4H3N3O3S
Molecular Weight173.15 g/mol
Exact Mass172.99
IUPAC Name4-carbamoylthiadiazole-5-carboxylic acid
SMILESNC(=O)c1nnsc1C(=O)O
InChIInChI=1S/C4H3N3O3S/c5-3(8)1-2(4(9)10)11-7-6-1/h(H2,5,8)(H,9,10)
InChIKeyLWWNPZCMMGAXLG-UHFFFAOYSA-N
XLogP-0.66
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoylthiadiazole-5-carboxylic acid?
The IUPAC name of 4-carbamoylthiadiazole-5-carboxylic acid (CID 70550575) is 4-carbamoylthiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-carbamoylthiadiazole-5-carboxylic acid?
The canonical SMILES for 4-carbamoylthiadiazole-5-carboxylic acid is NC(=O)c1nnsc1C(=O)O.
What is the InChIKey of 4-carbamoylthiadiazole-5-carboxylic acid?
The InChIKey is LWWNPZCMMGAXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O3S/c5-3(8)1-2(4(9)10)11-7-6-1/h(H2,5,8)(H,9,10).
What are the key properties of 4-carbamoylthiadiazole-5-carboxylic acid?
4-carbamoylthiadiazole-5-carboxylic acid has a molecular weight of 173.15 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoylthiadiazole-5-carboxylic acid is sourced from PubChem (CID 70550575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).