4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide

C10H14N4OS — CID 65205618

IUPAC4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CC#N)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C10H14N4OS/c1-10(2,3)8-7(16-13-12-8)9(15)14(4)6-5-11/h6H2,1-4H3
InChIKeyLRGAJABSDHBLMR-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.43
Rot. Bonds2

About 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide

4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 65205618) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide
PubChem CID65205618
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CC#N)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C10H14N4OS/c1-10(2,3)8-7(16-13-12-8)9(15)14(4)6-5-11/h6H2,1-4H3
InChIKeyLRGAJABSDHBLMR-UHFFFAOYSA-N
XLogP1.43
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide (CID 65205618) is 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide is CN(CC#N)C(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is LRGAJABSDHBLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-10(2,3)8-7(16-13-12-8)9(15)14(4)6-5-11/h6H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide?
4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(cyanomethyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).