thiadiazole-5-carboxamide

C3H3N3OS — CID 22372976

IUPACthiadiazole-5-carboxamide
SMILESNC(=O)c1cnns1
InChIInChI=1S/C3H3N3OS/c4-3(7)2-1-5-6-8-2/h1H,(H2,4,7)
InChIKeySZGOQYAJFJBSQD-UHFFFAOYSA-N
MW129.14 g/mol
LogP-0.36
Rot. Bonds1

About thiadiazole-5-carboxamide

thiadiazole-5-carboxamide (PubChem CID 22372976) has the molecular formula C3H3N3OS and a molecular weight of 129.14 g/mol. Its IUPAC name is thiadiazole-5-carboxamide.

Molecular Properties

Compound Namethiadiazole-5-carboxamide
PubChem CID22372976
Molecular FormulaC3H3N3OS
Molecular Weight129.14 g/mol
Exact Mass129.00
IUPAC Namethiadiazole-5-carboxamide
SMILESNC(=O)c1cnns1
InChIInChI=1S/C3H3N3OS/c4-3(7)2-1-5-6-8-2/h1H,(H2,4,7)
InChIKeySZGOQYAJFJBSQD-UHFFFAOYSA-N
XLogP-0.36
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiadiazole-5-carboxamide?
The IUPAC name of thiadiazole-5-carboxamide (CID 22372976) is thiadiazole-5-carboxamide.
What is the SMILES notation for thiadiazole-5-carboxamide?
The canonical SMILES for thiadiazole-5-carboxamide is NC(=O)c1cnns1.
What is the InChIKey of thiadiazole-5-carboxamide?
The InChIKey is SZGOQYAJFJBSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3OS/c4-3(7)2-1-5-6-8-2/h1H,(H2,4,7).
What are the key properties of thiadiazole-5-carboxamide?
thiadiazole-5-carboxamide has a molecular weight of 129.14 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole-5-carboxamide is sourced from PubChem (CID 22372976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).