ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane

C28H50N4O2S2 — CID 145341938

IUPACethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane
SMILESCC.CC.CC.CCC.Cc1ccc2c(c1)CCCN2S(C)(=O)=O.Cc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C11H15NO2S.C8H9N3S.C3H8.3C2H6/c1-9-5-6-11-10(8-9)4-3-7-12(11)15(2,13)14;1-6-5-12-8(10-6)7-3-9-11(2)4-7;1-3-2;3*1-2/h5-6,8H,3-4,7H2,1-2H3;3-5H,1-2H3;3H2,1-2H3;3*1-2H3
InChIKeyOEAYCKLSVVRDAA-UHFFFAOYSA-N
MW538.87 g/mol
LogP8.05
Rot. Bonds2

About ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane

ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane (PubChem CID 145341938) has the molecular formula C28H50N4O2S2 and a molecular weight of 538.87 g/mol. Its IUPAC name is ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane.

Molecular Properties

Compound Nameethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane
PubChem CID145341938
Molecular FormulaC28H50N4O2S2
Molecular Weight538.87 g/mol
Exact Mass538.34
IUPAC Nameethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane
SMILESCC.CC.CC.CCC.Cc1ccc2c(c1)CCCN2S(C)(=O)=O.Cc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C11H15NO2S.C8H9N3S.C3H8.3C2H6/c1-9-5-6-11-10(8-9)4-3-7-12(11)15(2,13)14;1-6-5-12-8(10-6)7-3-9-11(2)4-7;1-3-2;3*1-2/h5-6,8H,3-4,7H2,1-2H3;3-5H,1-2H3;3H2,1-2H3;3*1-2H3
InChIKeyOEAYCKLSVVRDAA-UHFFFAOYSA-N
XLogP8.05
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.87
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 55995746
4-methyl-2-[[4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 9422843
2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 136512826
2-(3,4-dimethoxyphenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 29109661
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86912091
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
CID 31263057
2-(4-methylpiperazin-4-ium-1-yl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 9343804
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 27039682

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane?
The IUPAC name of ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane (CID 145341938) is ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane.
What is the SMILES notation for ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane?
The canonical SMILES for ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane is CC.CC.CC.CCC.Cc1ccc2c(c1)CCCN2S(C)(=O)=O.Cc1csc(-c2cnn(C)c2)n1.
What is the InChIKey of ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane?
The InChIKey is OEAYCKLSVVRDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.C8H9N3S.C3H8.3C2H6/c1-9-5-6-11-10(8-9)4-3-7-12(11)15(2,13)14;1-6-5-12-8(10-6)7-3-9-11(2)4-7;1-3-2;3*1-2/h5-6,8H,3-4,7H2,1-2H3;3-5H,1-2H3;3H2,1-2H3;3*1-2H3.
What are the key properties of ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane?
ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane has a molecular weight of 538.87 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane is sourced from PubChem (CID 145341938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).