4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide

C12H18N4OS — CID 65205209

IUPAC4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C12H18N4OS/c1-6-12(5,7-13)14-10(17)8-9(11(2,3)4)15-16-18-8/h6H2,1-5H3,(H,14,17)
InChIKeyCXVGXSPEAJQFEB-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.26
Rot. Bonds3

About 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide

4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide (PubChem CID 65205209) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide
PubChem CID65205209
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C12H18N4OS/c1-6-12(5,7-13)14-10(17)8-9(11(2,3)4)15-16-18-8/h6H2,1-5H3,(H,14,17)
InChIKeyCXVGXSPEAJQFEB-UHFFFAOYSA-N
XLogP2.26
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide (CID 65205209) is 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide is CCC(C)(C#N)NC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide?
The InChIKey is CXVGXSPEAJQFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-6-12(5,7-13)14-10(17)8-9(11(2,3)4)15-16-18-8/h6H2,1-5H3,(H,14,17).
What are the key properties of 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65205209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).