2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide

C17H18N4OS — CID 82151301

IUPAC2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
SMILESCc1cnc2c(c1)nc(CCOc1ccccc1)n2CC(N)=S
InChIInChI=1S/C17H18N4OS/c1-12-9-14-17(19-10-12)21(11-15(18)23)16(20-14)7-8-22-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H2,18,23)
InChIKeyPBLGFDLZZZCDCU-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.65
Rot. Bonds6

About 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide

2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide (PubChem CID 82151301) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide.

Molecular Properties

Compound Name2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
PubChem CID82151301
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
SMILESCc1cnc2c(c1)nc(CCOc1ccccc1)n2CC(N)=S
InChIInChI=1S/C17H18N4OS/c1-12-9-14-17(19-10-12)21(11-15(18)23)16(20-14)7-8-22-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H2,18,23)
InChIKeyPBLGFDLZZZCDCU-UHFFFAOYSA-N
XLogP2.65
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745988
3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 145420127
6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209586
3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
CID 94757870
4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
CID 94758729
2-[2-[2-(4-methylphenyl)ethyl]benzimidazol-1-yl]ethanethioamide
CID 39148199
2-[6-methyl-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150790
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
CID 83205092
[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanamine
CID 94758182
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 82070616
1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine
CID 84744970

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide?
The IUPAC name of 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide (CID 82151301) is 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide.
What is the SMILES notation for 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide?
The canonical SMILES for 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide is Cc1cnc2c(c1)nc(CCOc1ccccc1)n2CC(N)=S.
What is the InChIKey of 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide?
The InChIKey is PBLGFDLZZZCDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-9-14-17(19-10-12)21(11-15(18)23)16(20-14)7-8-22-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H2,18,23).
What are the key properties of 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide?
2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide has a molecular weight of 326.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide is sourced from PubChem (CID 82151301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).