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

C11H15N3OS — CID 102699310

IUPAC3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOC(C)Cn1c(=S)[nH]c2c(C)ccnc21
InChIInChI=1S/C11H15N3OS/c1-7-4-5-12-10-9(7)13-11(16)14(10)6-8(2)15-3/h4-5,8H,6H2,1-3H3,(H,13,16)
InChIKeyHVPNTZLLQRXVBZ-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.44
Rot. Bonds3

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

3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 102699310) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID102699310
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOC(C)Cn1c(=S)[nH]c2c(C)ccnc21
InChIInChI=1S/C11H15N3OS/c1-7-4-5-12-10-9(7)13-11(16)14(10)6-8(2)15-3/h4-5,8H,6H2,1-3H3,(H,13,16)
InChIKeyHVPNTZLLQRXVBZ-UHFFFAOYSA-N
XLogP2.44
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.44
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

3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 115407756
3-(2,2-dimethylpropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288212
3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504394
7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288273
7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290389
3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288920
7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288995
N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79287910
7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288641
7-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288491
7-methyl-3-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79276988
3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 83114698

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 102699310) is 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is COC(C)Cn1c(=S)[nH]c2c(C)ccnc21.
What is the InChIKey of 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is HVPNTZLLQRXVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-4-5-12-10-9(7)13-11(16)14(10)6-8(2)15-3/h4-5,8H,6H2,1-3H3,(H,13,16).
What are the key properties of 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 237.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 102699310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).