5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole

C18H22F2N2S — CID 130440252

IUPAC5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole
SMILESCCC(C)N1CCCc2cc(-c3cnc(C)s3)c(C(F)F)cc21
InChIInChI=1S/C18H22F2N2S/c1-4-11(2)22-7-5-6-13-8-14(17-10-21-12(3)23-17)15(18(19)20)9-16(13)22/h8-11,18H,4-7H2,1-3H3
InChIKeyIRJQYCHUDXTVGG-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.61
Rot. Bonds4

About 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole

5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole (PubChem CID 130440252) has the molecular formula C18H22F2N2S and a molecular weight of 336.45 g/mol. Its IUPAC name is 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole
PubChem CID130440252
Molecular FormulaC18H22F2N2S
Molecular Weight336.45 g/mol
Exact Mass336.15
IUPAC Name5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole
SMILESCCC(C)N1CCCc2cc(-c3cnc(C)s3)c(C(F)F)cc21
InChIInChI=1S/C18H22F2N2S/c1-4-11(2)22-7-5-6-13-8-14(17-10-21-12(3)23-17)15(18(19)20)9-16(13)22/h8-11,18H,4-7H2,1-3H3
InChIKeyIRJQYCHUDXTVGG-UHFFFAOYSA-N
XLogP5.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole
CID 121382808
5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
CID 162615684
5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole
CID 121385831
9-butan-2-yl-4-propan-2-yl-7,8-dihydro-6H-pyrido[3,2-g]quinoline
CID 168983926
6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 121385845
7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline
CID 162575763
7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 162575743
6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 121382774
6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 157348012
7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 171809278
5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one
CID 171809615
7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-thiophen-3-yl-3,4-dihydro-2H-quinoline
CID 175866923

Frequently Asked Questions

What is the IUPAC name of 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole (CID 130440252) is 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole is CCC(C)N1CCCc2cc(-c3cnc(C)s3)c(C(F)F)cc21.
What is the InChIKey of 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole?
The InChIKey is IRJQYCHUDXTVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2S/c1-4-11(2)22-7-5-6-13-8-14(17-10-21-12(3)23-17)15(18(19)20)9-16(13)22/h8-11,18H,4-7H2,1-3H3.
What are the key properties of 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole?
5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole has a molecular weight of 336.45 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 130440252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).