ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole

C20H26N2S — CID 143401581

IUPACethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole
SMILESCC.Cc1ccc2c(C)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C18H20N2S.C2H6/c1-10(2)16-9-21-18(20-16)15-8-12(4)14-7-6-11(3)13(5)17(14)19-15;1-2/h6-10H,1-5H3;1-2H3
InChIKeyGLEWZSUFEMNITM-UHFFFAOYSA-N
MW326.51 g/mol
LogP6.43
Rot. Bonds2

About ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole

ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole (PubChem CID 143401581) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole
PubChem CID143401581
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC Nameethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole
SMILESCC.Cc1ccc2c(C)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C18H20N2S.C2H6/c1-10(2)16-9-21-18(20-16)15-8-12(4)14-7-6-11(3)13(5)17(14)19-15;1-2/h6-10H,1-5H3;1-2H3
InChIKeyGLEWZSUFEMNITM-UHFFFAOYSA-N
XLogP6.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole
CID 70249473
2-(7-methoxy-4,8-dimethylquinolin-2-yl)-1,3-thiazol-4-amine
CID 143844698
but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 143897716
cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide
CID 143934376
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129
2-(4,7,8-trimethylquinolin-2-yl)propan-1-amine
CID 84625533
2-(7,8-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-amine
CID 82448463
methyl (1R,2R,4S)-2-ethyl-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxycyclopentane-1-carboxylate
CID 129055540
methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate
CID 123708985
methyl 4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxylate
CID 123954642
(2S,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxamide
CID 66828811
2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 68639308

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole?
The IUPAC name of ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole (CID 143401581) is ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole.
What is the SMILES notation for ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole?
The canonical SMILES for ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole is CC.Cc1ccc2c(C)cc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole?
The InChIKey is GLEWZSUFEMNITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S.C2H6/c1-10(2)16-9-21-18(20-16)15-8-12(4)14-7-6-11(3)13(5)17(14)19-15;1-2/h6-10H,1-5H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole?
ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole has a molecular weight of 326.51 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 143401581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).