N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide

C9H10N4OS — CID 47793526

IUPACN-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(C(=O)c1cnns1)C1(C#N)CCC1
InChIInChI=1S/C9H10N4OS/c1-13(9(6-10)3-2-4-9)8(14)7-5-11-12-15-7/h5H,2-4H2,1H3
InChIKeyZNKOFHSFODBROZ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.06
Rot. Bonds2

About N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide

N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 47793526) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide
PubChem CID47793526
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC NameN-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(C(=O)c1cnns1)C1(C#N)CCC1
InChIInChI=1S/C9H10N4OS/c1-13(9(6-10)3-2-4-9)8(14)7-5-11-12-15-7/h5H,2-4H2,1H3
InChIKeyZNKOFHSFODBROZ-UHFFFAOYSA-N
XLogP1.06
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide (CID 47793526) is N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide is CN(C(=O)c1cnns1)C1(C#N)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is ZNKOFHSFODBROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-13(9(6-10)3-2-4-9)8(14)7-5-11-12-15-7/h5H,2-4H2,1H3.
What are the key properties of N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide?
N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 47793526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).