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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Related Compounds

1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)
CID 589729
1H-Imidazo[4,5-b]pyridine-2-thiol
CID 729246
1H-Pyrrolo(2,3-b)pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-
CID 170513
1,3-Dihydro-1-(2-(4-pyridinyl)ethyl)-2H-benzimidazole-2-thione
CID 3032601
4-methyl-N-(4-methyl-2-pyridinyl)piperazine-1-carbothioamide
CID 49853070
N-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carbothioamide
CID 49853323
3-Methyl-3H-imidazo[4,5-b]pyridine-2-thiol
CID 661574
4-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridine
CID 12398738
N-(3-methylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 806016
1-benzyl-1H-imidazo[4,5-c]pyridine-2-thiol
CID 749883
3-(4-Fluoro-phenyl)-3H-imidazo[4,5-b]pyridine-2-thiol
CID 6502072
2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-carbothioamide
CID 12358235

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).