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

C15H22N4S — CID 83114698

IUPAC3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC1(N(C)C)CCCC1
InChIInChI=1S/C15H22N4S/c1-11-6-9-16-13-12(11)17-14(20)19(13)10-15(18(2)3)7-4-5-8-15/h6,9H,4-5,7-8,10H2,1-3H3,(H,17,20)
InChIKeySAYZEKXEYKMILZ-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.28
Rot. Bonds3

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

3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 83114698) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID83114698
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC1(N(C)C)CCCC1
InChIInChI=1S/C15H22N4S/c1-11-6-9-16-13-12(11)17-14(20)19(13)10-15(18(2)3)7-4-5-8-15/h6,9H,4-5,7-8,10H2,1-3H3,(H,17,20)
InChIKeySAYZEKXEYKMILZ-UHFFFAOYSA-N
XLogP3.28
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.28
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 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 83114698) is 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2CC1(N(C)C)CCCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is SAYZEKXEYKMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11-6-9-16-13-12(11)17-14(20)19(13)10-15(18(2)3)7-4-5-8-15/h6,9H,4-5,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 290.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 83114698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).