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

C11H13N3S — CID 106185000

IUPAC1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(C)=CCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C11H13N3S/c1-8(2)4-6-14-10-3-5-12-7-9(10)13-11(14)15/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeyFWTAMPJYIRQXIL-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.06
Rot. Bonds2

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

1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 106185000) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID106185000
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(C)=CCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C11H13N3S/c1-8(2)4-6-14-10-3-5-12-7-9(10)13-11(14)15/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeyFWTAMPJYIRQXIL-UHFFFAOYSA-N
XLogP3.06
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.06
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

1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295384
1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295922
5-chloro-3-(3-methylbut-2-enyl)-1H-benzimidazole-2-thione
CID 106184989
N-tert-butyl-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)acetamide
CID 115356926
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 103008252
1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79756408
1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296475
1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296186
1-(2-piperidin-1-ylethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 24839155
ethyl 4-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)butanoate
CID 79296289
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79292483
1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 114516207

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 106185000) is 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione is CC(C)=CCn1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is FWTAMPJYIRQXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8(2)4-6-14-10-3-5-12-7-9(10)13-11(14)15/h3-5,7H,6H2,1-2H3,(H,13,15).
What are the key properties of 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 219.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 106185000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).