thiadiazole-5-carboxamide;hydrochloride

C3H4ClN3OS — CID 175045830

IUPACthiadiazole-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cnns1
InChIInChI=1S/C3H3N3OS.ClH/c4-3(7)2-1-5-6-8-2;/h1H,(H2,4,7);1H
InChIKeyNVMJTTIGULXWTE-UHFFFAOYSA-N
MW165.61 g/mol
LogP0.06
Rot. Bonds1

About thiadiazole-5-carboxamide;hydrochloride

thiadiazole-5-carboxamide;hydrochloride (PubChem CID 175045830) has the molecular formula C3H4ClN3OS and a molecular weight of 165.61 g/mol. Its IUPAC name is thiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Namethiadiazole-5-carboxamide;hydrochloride
PubChem CID175045830
Molecular FormulaC3H4ClN3OS
Molecular Weight165.61 g/mol
Exact Mass164.98
IUPAC Namethiadiazole-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cnns1
InChIInChI=1S/C3H3N3OS.ClH/c4-3(7)2-1-5-6-8-2;/h1H,(H2,4,7);1H
InChIKeyNVMJTTIGULXWTE-UHFFFAOYSA-N
XLogP0.06
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.61
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of thiadiazole-5-carboxamide;hydrochloride (CID 175045830) is thiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for thiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for thiadiazole-5-carboxamide;hydrochloride is Cl.NC(=O)c1cnns1.
What is the InChIKey of thiadiazole-5-carboxamide;hydrochloride?
The InChIKey is NVMJTTIGULXWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3OS.ClH/c4-3(7)2-1-5-6-8-2;/h1H,(H2,4,7);1H.
What are the key properties of thiadiazole-5-carboxamide;hydrochloride?
thiadiazole-5-carboxamide;hydrochloride has a molecular weight of 165.61 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 175045830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).