N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide

C12H16N2S — CID 4778898

IUPACN-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCCNC(=S)N1CCCc2ccccc21
InChIInChI=1S/C12H16N2S/c1-2-13-12(15)14-9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9H2,1H3,(H,13,15)
InChIKeyLLVDMYARJDGYDC-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.33
Rot. Bonds1

About N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide

N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 4778898) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound NameN-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID4778898
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCCNC(=S)N1CCCc2ccccc21
InChIInChI=1S/C12H16N2S/c1-2-13-12(15)14-9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9H2,1H3,(H,13,15)
InChIKeyLLVDMYARJDGYDC-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)ethyl]carbamate
CID 84551509
N-(3-ethylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 71821627
N-(4-butan-2-ylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19686743
N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 19686661
N-(4-bromophenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17298488
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
ethyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)benzoate
CID 19686763
bis(3,4-dihydro-2H-quinoline-1-carbodithioate);nickel(2+)
CID 6100591
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide
CID 26163816
(E)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-phenylprop-2-enamide
CID 905163
N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19686750
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
CID 61185072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 4778898) is N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide is CCNC(=S)N1CCCc2ccccc21.
What is the InChIKey of N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is LLVDMYARJDGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-13-12(15)14-9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9H2,1H3,(H,13,15).
What are the key properties of N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 220.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 4778898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).