3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C14H15N3OS — CID 81138432

IUPAC3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C(C)Cc3ccco3)c2n1
InChIInChI=1S/C14H15N3OS/c1-9-5-6-12-13(15-9)17(14(19)16-12)10(2)8-11-4-3-7-18-11/h3-7,10H,8H2,1-2H3,(H,16,19)
InChIKeyJETBIFGYNVSHLR-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.80
Rot. Bonds3

About 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81138432) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81138432
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C(C)Cc3ccco3)c2n1
InChIInChI=1S/C14H15N3OS/c1-9-5-6-12-13(15-9)17(14(19)16-12)10(2)8-11-4-3-7-18-11/h3-7,10H,8H2,1-2H3,(H,16,19)
InChIKeyJETBIFGYNVSHLR-UHFFFAOYSA-N
XLogP3.80
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.80
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-[1-(furan-2-yl)propan-2-yl]-4-methyl-1H-benzimidazole-2-thione
CID 115551754
3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138578
5-chloro-3-[1-(furan-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115469957
3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138280
3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81139065
5,7-difluoro-3-[1-(furan-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115508228
4-[1-(furan-2-yl)propan-2-yl]-1H-1,2,4-triazole-5-thione
CID 61472377
2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
CID 79279836
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599751
3-(2,6-dichlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138996
3-(2,6-difluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138584

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81138432) is 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C(C)Cc3ccco3)c2n1.
What is the InChIKey of 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is JETBIFGYNVSHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-5-6-12-13(15-9)17(14(19)16-12)10(2)8-11-4-3-7-18-11/h3-7,10H,8H2,1-2H3,(H,16,19).
What are the key properties of 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 273.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81138432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).