1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide

C7H12N2S — CID 14995545

IUPAC1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide
SMILESCN1CCC=C(C(N)=S)C1
InChIInChI=1S/C7H12N2S/c1-9-4-2-3-6(5-9)7(8)10/h3H,2,4-5H2,1H3,(H2,8,10)
InChIKeyLOKBUBXOGGPDBR-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.53
Rot. Bonds1

About 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide

1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide (PubChem CID 14995545) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide
PubChem CID14995545
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide
SMILESCN1CCC=C(C(N)=S)C1
InChIInChI=1S/C7H12N2S/c1-9-4-2-3-6(5-9)7(8)10/h3H,2,4-5H2,1H3,(H2,8,10)
InChIKeyLOKBUBXOGGPDBR-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.53
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 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide (CID 14995545) is 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide is CN1CCC=C(C(N)=S)C1.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide?
The InChIKey is LOKBUBXOGGPDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-9-4-2-3-6(5-9)7(8)10/h3H,2,4-5H2,1H3,(H2,8,10).
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide?
1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide has a molecular weight of 156.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide is sourced from PubChem (CID 14995545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).