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

C14H20N4S — CID 79288719

IUPAC7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC1CCCCN1C
InChIInChI=1S/C14H20N4S/c1-10-6-7-15-13-12(10)16-14(19)18(13)9-11-5-3-4-8-17(11)2/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyIJULCTCUKUXPML-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.89
Rot. Bonds2

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

7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79288719) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79288719
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC1CCCCN1C
InChIInChI=1S/C14H20N4S/c1-10-6-7-15-13-12(10)16-14(19)18(13)9-11-5-3-4-8-17(11)2/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyIJULCTCUKUXPML-UHFFFAOYSA-N
XLogP2.89
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 79288719) is 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2CC1CCCCN1C.
What is the InChIKey of 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is IJULCTCUKUXPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-6-7-15-13-12(10)16-14(19)18(13)9-11-5-3-4-8-17(11)2/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,19).
What are the key properties of 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 276.41 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79288719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).