1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione

C10H12N2S — CID 24966798

IUPAC1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCC(C)c1[nH]c(=S)n2ccccc12
InChIInChI=1S/C10H12N2S/c1-7(2)9-8-5-3-4-6-12(8)10(13)11-9/h3-7H,1-2H3,(H,11,13)
InChIKeyVLQNOYKXTIMFIS-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.12
Rot. Bonds1

About 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione

1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24966798) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24966798
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESCC(C)c1[nH]c(=S)n2ccccc12
InChIInChI=1S/C10H12N2S/c1-7(2)9-8-5-3-4-6-12(8)10(13)11-9/h3-7H,1-2H3,(H,11,13)
InChIKeyVLQNOYKXTIMFIS-UHFFFAOYSA-N
XLogP3.12
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.12
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-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione (CID 24966798) is 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione is CC(C)c1[nH]c(=S)n2ccccc12.
What is the InChIKey of 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is VLQNOYKXTIMFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7(2)9-8-5-3-4-6-12(8)10(13)11-9/h3-7H,1-2H3,(H,11,13).
What are the key properties of 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione?
1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 192.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24966798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).