N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide

C11H16N4OS — CID 65204609

IUPACN-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C11H16N4OS/c1-5-11(4,6-12)13-10(16)9-8(7(2)3)14-15-17-9/h7H,5H2,1-4H3,(H,13,16)
InChIKeyVQKYKOKTBJCFKC-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.08
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204609) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204609
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C11H16N4OS/c1-5-11(4,6-12)13-10(16)9-8(7(2)3)14-15-17-9/h7H,5H2,1-4H3,(H,13,16)
InChIKeyVQKYKOKTBJCFKC-UHFFFAOYSA-N
XLogP2.08
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204609) is N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide is CCC(C)(C#N)NC(=O)c1snnc1C(C)C.
What is the InChIKey of N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is VQKYKOKTBJCFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-5-11(4,6-12)13-10(16)9-8(7(2)3)14-15-17-9/h7H,5H2,1-4H3,(H,13,16).
What are the key properties of N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).