1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione

C11H14N2S — CID 24967145

IUPAC1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCC(C)(C)c1[nH]c(=S)n2ccccc12
InChIInChI=1S/C11H14N2S/c1-11(2,3)9-8-6-4-5-7-13(8)10(14)12-9/h4-7H,1-3H3,(H,12,14)
InChIKeySLBVNZTVFNCFJV-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.29
Rot. Bonds

About 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione

1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24967145) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24967145
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCC(C)(C)c1[nH]c(=S)n2ccccc12
InChIInChI=1S/C11H14N2S/c1-11(2,3)9-8-6-4-5-7-13(8)10(14)12-9/h4-7H,1-3H3,(H,12,14)
InChIKeySLBVNZTVFNCFJV-UHFFFAOYSA-N
XLogP3.29
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione (CID 24967145) is 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione is CC(C)(C)c1[nH]c(=S)n2ccccc12.
What is the InChIKey of 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is SLBVNZTVFNCFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-11(2,3)9-8-6-4-5-7-13(8)10(14)12-9/h4-7H,1-3H3,(H,12,14).
What are the key properties of 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione?
1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 206.31 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24967145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).