methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate

C19H21FN2O2S2 — CID 5170358

IUPACmethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=S)N2c3ccc(F)cc3CCC2C)sc(C)c1C
InChIInChI=1S/C19H21FN2O2S2/c1-10-5-6-13-9-14(20)7-8-15(13)22(10)19(25)21-17-16(18(23)24-4)11(2)12(3)26-17/h7-10H,5-6H2,1-4H3,(H,21,25)
InChIKeyGBNHXZQXKNIOEO-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.83
Rot. Bonds2

About methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 5170358) has the molecular formula C19H21FN2O2S2 and a molecular weight of 392.52 g/mol. Its IUPAC name is methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID5170358
Molecular FormulaC19H21FN2O2S2
Molecular Weight392.52 g/mol
Exact Mass392.10
IUPAC Namemethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=S)N2c3ccc(F)cc3CCC2C)sc(C)c1C
InChIInChI=1S/C19H21FN2O2S2/c1-10-5-6-13-9-14(20)7-8-15(13)22(10)19(25)21-17-16(18(23)24-4)11(2)12(3)26-17/h7-10H,5-6H2,1-4H3,(H,21,25)
InChIKeyGBNHXZQXKNIOEO-UHFFFAOYSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17284495
N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17269034
N-(3,5-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654790
N-(4-ethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654779
N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654794
N-ethyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654814
methyl 5-methyl-2-[[(2R)-2-methyl-2,3-dihydroindole-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate
CID 27525847
N-(3-ethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 71821626
ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 27527116
methyl 2-[(5-fluoro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 33075863
(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
methyl 4,5-dimethyl-2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]thiophene-3-carboxylate
CID 27516466

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 5170358) is methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=S)N2c3ccc(F)cc3CCC2C)sc(C)c1C.
What is the InChIKey of methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is GBNHXZQXKNIOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S2/c1-10-5-6-13-9-14(20)7-8-15(13)22(10)19(25)21-17-16(18(23)24-4)11(2)12(3)26-17/h7-10H,5-6H2,1-4H3,(H,21,25).
What are the key properties of methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 392.52 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 5170358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).