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

C10H14N2S — CID 131019272

IUPAC5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESC#CCNC(=S)N1CCC=C(C)C1
InChIInChI=1S/C10H14N2S/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h1,5H,4,6-8H2,2H3,(H,11,13)
InChIKeyXPNRGAKTMMUZPZ-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.15
Rot. Bonds1

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

5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 131019272) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound Name5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID131019272
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESC#CCNC(=S)N1CCC=C(C)C1
InChIInChI=1S/C10H14N2S/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h1,5H,4,6-8H2,2H3,(H,11,13)
InChIKeyXPNRGAKTMMUZPZ-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131129978
N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 13034316
N-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 127012113
5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130618934
N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130618965
4-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130661022
N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130668461
4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130748557

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 131019272) is 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide is C#CCNC(=S)N1CCC=C(C)C1.
What is the InChIKey of 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is XPNRGAKTMMUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h1,5H,4,6-8H2,2H3,(H,11,13).
What are the key properties of 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 194.30 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 131019272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).