N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide

C12H14N2OS — CID 974384

IUPACN-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide
SMILESCC(=O)NC(=S)N1CCCc2ccccc21
InChIInChI=1S/C12H14N2OS/c1-9(15)13-12(16)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7H,4,6,8H2,1H3,(H,13,15,16)
InChIKeyLBVQJGMWWFNVSG-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.86
Rot. Bonds

About N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide

N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide (PubChem CID 974384) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide
PubChem CID974384
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide
SMILESCC(=O)NC(=S)N1CCCc2ccccc21
InChIInChI=1S/C12H14N2OS/c1-9(15)13-12(16)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7H,4,6,8H2,1H3,(H,13,15,16)
InChIKeyLBVQJGMWWFNVSG-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.86
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 N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide (CID 974384) is N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide is CC(=O)NC(=S)N1CCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide?
The InChIKey is LBVQJGMWWFNVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9(15)13-12(16)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7H,4,6,8H2,1H3,(H,13,15,16).
What are the key properties of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide?
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide has a molecular weight of 234.32 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide is sourced from PubChem (CID 974384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).