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

C16H15N3OS — CID 79277586

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2C1CCOc2ccccc21
InChIInChI=1S/C16H15N3OS/c1-10-6-8-17-15-14(10)18-16(21)19(15)12-7-9-20-13-5-3-2-4-11(12)13/h2-6,8,12H,7,9H2,1H3,(H,18,21)
InChIKeyQLVCWSOHDOFLPB-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.77
Rot. Bonds1

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

3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79277586) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79277586
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2C1CCOc2ccccc21
InChIInChI=1S/C16H15N3OS/c1-10-6-8-17-15-14(10)18-16(21)19(15)12-7-9-20-13-5-3-2-4-11(12)13/h2-6,8,12H,7,9H2,1H3,(H,18,21)
InChIKeyQLVCWSOHDOFLPB-UHFFFAOYSA-N
XLogP3.77
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.77
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

7-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114548265
3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79273247
6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazole-2-thione
CID 62365742
5-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazole-2-thione
CID 115470063
3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140893
2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine
CID 79274371
1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857739
6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79279142
3-tert-butyl-5-chloro-4-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-triazole
CID 63385446
6-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274894
7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
CID 62366094
1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968809

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79277586) is 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2C1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QLVCWSOHDOFLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-6-8-17-15-14(10)18-16(21)19(15)12-7-9-20-13-5-3-2-4-11(12)13/h2-6,8,12H,7,9H2,1H3,(H,18,21).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 297.38 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79277586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).