4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione

C10H16N2S — CID 5205536

IUPAC4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione
SMILESCC(C)c1cc(N(C)C)cc(=S)[nH]1
InChIInChI=1S/C10H16N2S/c1-7(2)9-5-8(12(3)4)6-10(13)11-9/h5-7H,1-4H3,(H,11,13)
InChIKeyCKFQFUPHQWHGGV-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.93
Rot. Bonds2

About 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione

4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione (PubChem CID 5205536) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione
PubChem CID5205536
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione
SMILESCC(C)c1cc(N(C)C)cc(=S)[nH]1
InChIInChI=1S/C10H16N2S/c1-7(2)9-5-8(12(3)4)6-10(13)11-9/h5-7H,1-4H3,(H,11,13)
InChIKeyCKFQFUPHQWHGGV-UHFFFAOYSA-N
XLogP2.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione?
The IUPAC name of 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione (CID 5205536) is 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione.
What is the SMILES notation for 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione?
The canonical SMILES for 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione is CC(C)c1cc(N(C)C)cc(=S)[nH]1.
What is the InChIKey of 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione?
The InChIKey is CKFQFUPHQWHGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)9-5-8(12(3)4)6-10(13)11-9/h5-7H,1-4H3,(H,11,13).
What are the key properties of 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione?
4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione has a molecular weight of 196.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-propan-2-yl-1H-pyridine-2-thione is sourced from PubChem (CID 5205536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).