8-propan-2-yloxyquinoline-2-carbothioamide

C13H14N2OS — CID 82244280

IUPAC8-propan-2-yloxyquinoline-2-carbothioamide
SMILESCC(C)Oc1cccc2ccc(C(N)=S)nc12
InChIInChI=1S/C13H14N2OS/c1-8(2)16-11-5-3-4-9-6-7-10(13(14)17)15-12(9)11/h3-8H,1-2H3,(H2,14,17)
InChIKeyPZOOYMYXHUKBOC-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.66
Rot. Bonds3

About 8-propan-2-yloxyquinoline-2-carbothioamide

8-propan-2-yloxyquinoline-2-carbothioamide (PubChem CID 82244280) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 8-propan-2-yloxyquinoline-2-carbothioamide.

Molecular Properties

Compound Name8-propan-2-yloxyquinoline-2-carbothioamide
PubChem CID82244280
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name8-propan-2-yloxyquinoline-2-carbothioamide
SMILESCC(C)Oc1cccc2ccc(C(N)=S)nc12
InChIInChI=1S/C13H14N2OS/c1-8(2)16-11-5-3-4-9-6-7-10(13(14)17)15-12(9)11/h3-8H,1-2H3,(H2,14,17)
InChIKeyPZOOYMYXHUKBOC-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-propan-2-yloxyquinoline-2-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-methyl-8-propan-2-yloxyquinoline-4-carbothioamide
CID 82574267
1-(8-propan-2-yloxyquinolin-2-yl)propan-2-amine
CID 82244094
2-(2-hydrazinylquinolin-8-yl)oxypropanamide
CID 82108508
4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
CID 62926639
6-butan-2-yloxypyridine-2-carbothioamide
CID 64594535
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol
CID 64812344
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
CID 62683637
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
N-methoxy-1-(8-methoxyquinolin-2-yl)ethanimine
CID 139838410

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yloxyquinoline-2-carbothioamide?
The IUPAC name of 8-propan-2-yloxyquinoline-2-carbothioamide (CID 82244280) is 8-propan-2-yloxyquinoline-2-carbothioamide.
What is the SMILES notation for 8-propan-2-yloxyquinoline-2-carbothioamide?
The canonical SMILES for 8-propan-2-yloxyquinoline-2-carbothioamide is CC(C)Oc1cccc2ccc(C(N)=S)nc12.
What is the InChIKey of 8-propan-2-yloxyquinoline-2-carbothioamide?
The InChIKey is PZOOYMYXHUKBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8(2)16-11-5-3-4-9-6-7-10(13(14)17)15-12(9)11/h3-8H,1-2H3,(H2,14,17).
What are the key properties of 8-propan-2-yloxyquinoline-2-carbothioamide?
8-propan-2-yloxyquinoline-2-carbothioamide has a molecular weight of 246.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yloxyquinoline-2-carbothioamide is sourced from PubChem (CID 82244280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).