1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione

C14H22N4S — CID 79296653

IUPAC1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(C)CC(CN(C)C)n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C14H22N4S/c1-10(2)7-11(9-17(3)4)18-13-5-6-15-8-12(13)16-14(18)19/h5-6,8,10-11H,7,9H2,1-4H3,(H,16,19)
InChIKeyNJDNPHSCJNXLRI-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.24
Rot. Bonds5

About 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione

1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296653) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296653
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(C)CC(CN(C)C)n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C14H22N4S/c1-10(2)7-11(9-17(3)4)18-13-5-6-15-8-12(13)16-14(18)19/h5-6,8,10-11H,7,9H2,1-4H3,(H,16,19)
InChIKeyNJDNPHSCJNXLRI-UHFFFAOYSA-N
XLogP3.24
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296653) is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione is CC(C)CC(CN(C)C)n1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is NJDNPHSCJNXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-10(2)7-11(9-17(3)4)18-13-5-6-15-8-12(13)16-14(18)19/h5-6,8,10-11H,7,9H2,1-4H3,(H,16,19).
What are the key properties of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 278.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).