N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide

C12H16N4OS — CID 115356926

IUPACN-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C12H16N4OS/c1-12(2,3)15-10(17)7-16-9-4-5-13-6-8(9)14-11(16)18/h4-6H,7H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyNQPVMHUJOHTRSX-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.01
Rot. Bonds2

About N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide

N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide (PubChem CID 115356926) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide
PubChem CID115356926
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C12H16N4OS/c1-12(2,3)15-10(17)7-16-9-4-5-13-6-8(9)14-11(16)18/h4-6H,7H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyNQPVMHUJOHTRSX-UHFFFAOYSA-N
XLogP2.01
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide 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-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide (CID 115356926) is N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide is CC(C)(C)NC(=O)Cn1c(=S)[nH]c2cnccc21.
What is the InChIKey of N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide?
The InChIKey is NQPVMHUJOHTRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)15-10(17)7-16-9-4-5-13-6-8(9)14-11(16)18/h4-6H,7H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide?
N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide is sourced from PubChem (CID 115356926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).