N-cyano-4-methylthiadiazole-5-carboxamide

C5H4N4OS — CID 79195320

IUPACN-cyano-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC#N
InChIInChI=1S/C5H4N4OS/c1-3-4(11-9-8-3)5(10)7-2-6/h1H3,(H,7,10)
InChIKeyYKNKQJPMUFSCGH-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.06
Rot. Bonds1

About N-cyano-4-methylthiadiazole-5-carboxamide

N-cyano-4-methylthiadiazole-5-carboxamide (PubChem CID 79195320) has the molecular formula C5H4N4OS and a molecular weight of 168.18 g/mol. Its IUPAC name is N-cyano-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyano-4-methylthiadiazole-5-carboxamide
PubChem CID79195320
Molecular FormulaC5H4N4OS
Molecular Weight168.18 g/mol
Exact Mass168.01
IUPAC NameN-cyano-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC#N
InChIInChI=1S/C5H4N4OS/c1-3-4(11-9-8-3)5(10)7-2-6/h1H3,(H,7,10)
InChIKeyYKNKQJPMUFSCGH-UHFFFAOYSA-N
XLogP0.06
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-cyano-4-methylthiadiazole-5-carboxamide (CID 79195320) is N-cyano-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-cyano-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-cyano-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC#N.
What is the InChIKey of N-cyano-4-methylthiadiazole-5-carboxamide?
The InChIKey is YKNKQJPMUFSCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OS/c1-3-4(11-9-8-3)5(10)7-2-6/h1H3,(H,7,10).
What are the key properties of N-cyano-4-methylthiadiazole-5-carboxamide?
N-cyano-4-methylthiadiazole-5-carboxamide has a molecular weight of 168.18 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 79195320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).