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

C9H16N2S — CID 130668461

IUPACN,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CC(C)=CC(C)C1
InChIInChI=1S/C9H16N2S/c1-7-4-8(2)6-11(5-7)9(12)10-3/h4,7H,5-6H2,1-3H3,(H,10,12)
InChIKeyGMIZRWMFTVSKTP-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.39
Rot. Bonds

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

N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 130668461) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound NameN,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID130668461
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CC(C)=CC(C)C1
InChIInChI=1S/C9H16N2S/c1-7-4-8(2)6-11(5-7)9(12)10-3/h4,7H,5-6H2,1-3H3,(H,10,12)
InChIKeyGMIZRWMFTVSKTP-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.39
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'}

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Related Compounds

N-methyl-4-t-butyl-1,2,3,6-tetrahydro-1-pyridinethiocarboxamide
CID 10198239
2(1H)-Pyrimidinethione, 3,4-dihydro-1-isobutyl-4,4,6-trimethyl-
CID 3038413
3-(3-Methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)thiourea
CID 58801028
N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131129978
[(1,1,4-trimethyl-3,6-dihydro-2H-pyridin-1-ium-2-yl)amino]methanethiol
CID 163882722
1-Ethyl-1-(4-methylpent-2-enyl)thiourea
CID 165175592
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
1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-3-methylthiourea
CID 130677604

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 130668461) is N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide is CNC(=S)N1CC(C)=CC(C)C1.
What is the InChIKey of N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is GMIZRWMFTVSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7-4-8(2)6-11(5-7)9(12)10-3/h4,7H,5-6H2,1-3H3,(H,10,12).
What are the key properties of N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 184.31 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 130668461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).