2-(2-methylquinolin-8-yl)oxyethanethioamide

C12H12N2OS — CID 43352184

IUPAC2-(2-methylquinolin-8-yl)oxyethanethioamide
SMILESCc1ccc2cccc(OCC(N)=S)c2n1
InChIInChI=1S/C12H12N2OS/c1-8-5-6-9-3-2-4-10(12(9)14-8)15-7-11(13)16/h2-6H,7H2,1H3,(H2,13,16)
InChIKeyNEJUNSOAVUKIED-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-methylquinolin-8-yl)oxyethanethioamide

2-(2-methylquinolin-8-yl)oxyethanethioamide (PubChem CID 43352184) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(2-methylquinolin-8-yl)oxyethanethioamide.

Molecular Properties

Compound Name2-(2-methylquinolin-8-yl)oxyethanethioamide
PubChem CID43352184
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(2-methylquinolin-8-yl)oxyethanethioamide
SMILESCc1ccc2cccc(OCC(N)=S)c2n1
InChIInChI=1S/C12H12N2OS/c1-8-5-6-9-3-2-4-10(12(9)14-8)15-7-11(13)16/h2-6H,7H2,1H3,(H2,13,16)
InChIKeyNEJUNSOAVUKIED-UHFFFAOYSA-N
XLogP2.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
CID 62683637
potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide
CID 106746695
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine
CID 103066920
N-[(2S)-butan-2-yl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 7701891
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
N-cyclopropyl-2-(2-methylquinolin-8-yl)oxyacetamide
CID 40512032
4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
CID 62926639
2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
CID 43352182
2-(2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 40512034
CID 20665518
CID 20665518

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-8-yl)oxyethanethioamide?
The IUPAC name of 2-(2-methylquinolin-8-yl)oxyethanethioamide (CID 43352184) is 2-(2-methylquinolin-8-yl)oxyethanethioamide.
What is the SMILES notation for 2-(2-methylquinolin-8-yl)oxyethanethioamide?
The canonical SMILES for 2-(2-methylquinolin-8-yl)oxyethanethioamide is Cc1ccc2cccc(OCC(N)=S)c2n1.
What is the InChIKey of 2-(2-methylquinolin-8-yl)oxyethanethioamide?
The InChIKey is NEJUNSOAVUKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-5-6-9-3-2-4-10(12(9)14-8)15-7-11(13)16/h2-6H,7H2,1H3,(H2,13,16).
What are the key properties of 2-(2-methylquinolin-8-yl)oxyethanethioamide?
2-(2-methylquinolin-8-yl)oxyethanethioamide has a molecular weight of 232.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-8-yl)oxyethanethioamide is sourced from PubChem (CID 43352184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).