3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione

C10H11N3S — CID 114617898

IUPAC3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESC=C(C)Cn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C10H11N3S/c1-7(2)6-13-9-8(12-10(13)14)4-3-5-11-9/h3-5H,1,6H2,2H3,(H,12,14)
InChIKeyCWHZXTVIVXFAHW-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.67
Rot. Bonds2

About 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione

3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 114617898) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID114617898
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESC=C(C)Cn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C10H11N3S/c1-7(2)6-13-9-8(12-10(13)14)4-3-5-11-9/h3-5H,1,6H2,2H3,(H,12,14)
InChIKeyCWHZXTVIVXFAHW-UHFFFAOYSA-N
XLogP2.67
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79289461
3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289211
3-[(6-methyl-3-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289728
3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289388
3-(4-methylpentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290049
3-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289482
2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate
CID 83204055
3-(2-methyl-2-methylsulfonylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79562446
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289404
ethyl 4-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanoate
CID 79289071
3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289225
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106419432

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 114617898) is 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione is C=C(C)Cn1c(=S)[nH]c2cccnc21.
What is the InChIKey of 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is CWHZXTVIVXFAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7(2)6-13-9-8(12-10(13)14)4-3-5-11-9/h3-5H,1,6H2,2H3,(H,12,14).
What are the key properties of 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 205.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 114617898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).