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

C10H18N2S — CID 130618934

IUPAC5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCCCNC(=S)N1CCC=C(C)C1
InChIInChI=1S/C10H18N2S/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h5H,3-4,6-8H2,1-2H3,(H,11,13)
InChIKeyIBNKSMADKPEDJB-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.92
Rot. Bonds2

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

5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 130618934) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound Name5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID130618934
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCCCNC(=S)N1CCC=C(C)C1
InChIInChI=1S/C10H18N2S/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h5H,3-4,6-8H2,1-2H3,(H,11,13)
InChIKeyIBNKSMADKPEDJB-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.92
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'}

Analyze 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-
CID 3034503
N-methyl-4-t-butyl-1,2,3,6-tetrahydro-1-pyridinethiocarboxamide
CID 10198239
2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-
CID 3038099
2(1H)-Pyrimidinethione, 3,4-dihydro-1-isobutyl-4,4,6-trimethyl-
CID 3038413
1,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]thiourea
CID 102430047
N-allyl-4-t-butyl-1,2,3,6--tetrahydro-1-pyridinethiocarboxamide
CID 21519702
N-ethyl-4-t-butyl-1,2,3,6-tetrahydro-1-pyridinethiocarboxamide
CID 21519704
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]ethanethioamide
CID 23574960
N-[[1-(trideuteriomethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]ethanethioamide
CID 58633930
3-Ethylpent-2-enylthiourea
CID 87751961
4,6-Dimethyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882205
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylthiourea
CID 88939449

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 130618934) is 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide is CCCNC(=S)N1CCC=C(C)C1.
What is the InChIKey of 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is IBNKSMADKPEDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h5H,3-4,6-8H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 198.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 130618934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).