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

C11H16N4S — CID 145479876

IUPAC4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(C)(C)Cn1c(=S)[nH]c2c(N)nccc21
InChIInChI=1S/C11H16N4S/c1-11(2,3)6-15-7-4-5-13-9(12)8(7)14-10(15)16/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,16)
InChIKeyZXRZCJPEWPPBOZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.72
Rot. Bonds1

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

4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 145479876) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID145479876
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(C)(C)Cn1c(=S)[nH]c2c(N)nccc21
InChIInChI=1S/C11H16N4S/c1-11(2,3)6-15-7-4-5-13-9(12)8(7)14-10(15)16/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,16)
InChIKeyZXRZCJPEWPPBOZ-UHFFFAOYSA-N
XLogP2.72
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-pent-4-ynyl-3H-imidazo[4,5-c]pyridine-2-thione
CID 59808779
3-(2,2-dimethylpropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288212
3-(2,2-dimethylpropyl)-6-iodo-1H-benzimidazole-2-thione
CID 66081886
3-(2,2-dimethylpropyl)-6-(trifluoromethyl)-1H-benzimidazole-2-thione
CID 115501854
1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295384
1-methylpyrazolo[4,3-c]pyridine-3,4-diamine
CID 144514733
3-(2,2-dimethylbutyl)-7-propoxy-1H-benzimidazole-2-thione
CID 103462820
3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504394
7-fluoro-3-[(2-methoxy-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 62990878
7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288641
7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290389
3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 115407756

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 145479876) is 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione is CC(C)(C)Cn1c(=S)[nH]c2c(N)nccc21.
What is the InChIKey of 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is ZXRZCJPEWPPBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-11(2,3)6-15-7-4-5-13-9(12)8(7)14-10(15)16/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,16).
What are the key properties of 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione?
4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 236.34 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 145479876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).