N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide

C11H16N4OS — CID 65204514

IUPACN-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(C#N)C(C)C
InChIInChI=1S/C11H16N4OS/c1-6(2)8(5-12)13-11(16)10-9(7(3)4)14-15-17-10/h6-8H,1-4H3,(H,13,16)
InChIKeyGHSRWESYULYKSZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.94
Rot. Bonds4

About N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204514) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204514
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(C#N)C(C)C
InChIInChI=1S/C11H16N4OS/c1-6(2)8(5-12)13-11(16)10-9(7(3)4)14-15-17-10/h6-8H,1-4H3,(H,13,16)
InChIKeyGHSRWESYULYKSZ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204514) is N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NC(C#N)C(C)C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is GHSRWESYULYKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-6(2)8(5-12)13-11(16)10-9(7(3)4)14-15-17-10/h6-8H,1-4H3,(H,13,16).
What are the key properties of N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).