5-(methylcarbamoyl)thiadiazole-4-carboxylic acid

C5H5N3O3S — CID 117214723

IUPAC5-(methylcarbamoyl)thiadiazole-4-carboxylic acid
SMILESCNC(=O)c1snnc1C(=O)O
InChIInChI=1S/C5H5N3O3S/c1-6-4(9)3-2(5(10)11)7-8-12-3/h1H3,(H,6,9)(H,10,11)
InChIKeyARYJPPJMLCWOQS-UHFFFAOYSA-N
MW187.18 g/mol
LogP-0.40
Rot. Bonds2

About 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid

5-(methylcarbamoyl)thiadiazole-4-carboxylic acid (PubChem CID 117214723) has the molecular formula C5H5N3O3S and a molecular weight of 187.18 g/mol. Its IUPAC name is 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methylcarbamoyl)thiadiazole-4-carboxylic acid
PubChem CID117214723
Molecular FormulaC5H5N3O3S
Molecular Weight187.18 g/mol
Exact Mass187.01
IUPAC Name5-(methylcarbamoyl)thiadiazole-4-carboxylic acid
SMILESCNC(=O)c1snnc1C(=O)O
InChIInChI=1S/C5H5N3O3S/c1-6-4(9)3-2(5(10)11)7-8-12-3/h1H3,(H,6,9)(H,10,11)
InChIKeyARYJPPJMLCWOQS-UHFFFAOYSA-N
XLogP-0.40
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Methylaminomethyl)thiadiazole-4-carboxylic acid
CID 117214536
5-(Ethylaminomethyl)thiadiazole-4-carboxylic acid
CID 117214599
5-[(Propan-2-ylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214602
5-(Cyclopropylcarbamoyl)thiadiazole-4-carboxylic acid
CID 117214714
5-(Cyclobutylcarbamoyl)thiadiazole-4-carboxylic acid
CID 117214716
5-(Cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid
CID 117214718
5-Carbamoylthiadiazole-4-carboxylic acid
CID 117214722
5-(Dimethylcarbamoyl)thiadiazole-4-carboxylic acid
CID 117214724
5-(Pyrrolidine-1-carbonyl)thiadiazole-4-carboxylic acid
CID 117214726
5-(Piperazine-1-carbonyl)thiadiazole-4-carboxylic acid
CID 117214733
5-(Ethylcarbamoyl)thiadiazole-4-carboxylic acid
CID 117214793
5-(Propan-2-ylcarbamoyl)thiadiazole-4-carboxylic acid
CID 117214795

Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid (CID 117214723) is 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid is CNC(=O)c1snnc1C(=O)O.
What is the InChIKey of 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid?
The InChIKey is ARYJPPJMLCWOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3S/c1-6-4(9)3-2(5(10)11)7-8-12-3/h1H3,(H,6,9)(H,10,11).
What are the key properties of 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid?
5-(methylcarbamoyl)thiadiazole-4-carboxylic acid has a molecular weight of 187.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).