3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C11H13N3S — CID 79288920

IUPAC3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC1CC1
InChIInChI=1S/C11H13N3S/c1-7-4-5-12-10-9(7)13-11(15)14(10)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,15)
InChIKeyHHFGQPDTFUKERK-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.81
Rot. Bonds2

About 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79288920) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79288920
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC1CC1
InChIInChI=1S/C11H13N3S/c1-7-4-5-12-10-9(7)13-11(15)14(10)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,15)
InChIKeyHHFGQPDTFUKERK-UHFFFAOYSA-N
XLogP2.81
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79288920) is 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is HHFGQPDTFUKERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-7-4-5-12-10-9(7)13-11(15)14(10)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,15).
What are the key properties of 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 219.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79288920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).