5-carbamoylthiadiazole-4-carboxylic acid

C4H3N3O3S — CID 117214722

IUPAC5-carbamoylthiadiazole-4-carboxylic acid
SMILESNC(=O)c1snnc1C(=O)O
InChIInChI=1S/C4H3N3O3S/c5-3(8)2-1(4(9)10)6-7-11-2/h(H2,5,8)(H,9,10)
InChIKeyPEDHURHFUOOEFJ-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.66
Rot. Bonds2

About 5-carbamoylthiadiazole-4-carboxylic acid

5-carbamoylthiadiazole-4-carboxylic acid (PubChem CID 117214722) has the molecular formula C4H3N3O3S and a molecular weight of 173.15 g/mol. Its IUPAC name is 5-carbamoylthiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-carbamoylthiadiazole-4-carboxylic acid
PubChem CID117214722
Molecular FormulaC4H3N3O3S
Molecular Weight173.15 g/mol
Exact Mass172.99
IUPAC Name5-carbamoylthiadiazole-4-carboxylic acid
SMILESNC(=O)c1snnc1C(=O)O
InChIInChI=1S/C4H3N3O3S/c5-3(8)2-1(4(9)10)6-7-11-2/h(H2,5,8)(H,9,10)
InChIKeyPEDHURHFUOOEFJ-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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Related Compounds

4-Carbamoylthiadiazole-5-carboxylic acid
CID 70550575
4-(Trideuteriomethoxycarbamoyl)thiadiazole-5-carboxylic acid
CID 176162083
5-(Aminomethyl)thiadiazole-4-carboxylic acid
CID 117214535
5-(Methylcarbamoyl)thiadiazole-4-carboxylic acid
CID 117214723
5-(Dimethylcarbamoyl)thiadiazole-4-carboxylic acid
CID 117214724
5-Sulfanylcarbonylthiadiazole-4-carboxylic acid
CID 117214799

Frequently Asked Questions

What is the IUPAC name of 5-carbamoylthiadiazole-4-carboxylic acid?
The IUPAC name of 5-carbamoylthiadiazole-4-carboxylic acid (CID 117214722) is 5-carbamoylthiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-carbamoylthiadiazole-4-carboxylic acid?
The canonical SMILES for 5-carbamoylthiadiazole-4-carboxylic acid is NC(=O)c1snnc1C(=O)O.
What is the InChIKey of 5-carbamoylthiadiazole-4-carboxylic acid?
The InChIKey is PEDHURHFUOOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O3S/c5-3(8)2-1(4(9)10)6-7-11-2/h(H2,5,8)(H,9,10).
What are the key properties of 5-carbamoylthiadiazole-4-carboxylic acid?
5-carbamoylthiadiazole-4-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 5-carbamoylthiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).