2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole

C16H20N2O3S2 — CID 136512826

IUPAC2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
SMILESCOC(C)c1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1
InChIInChI=1S/C16H20N2O3S2/c1-11(21-2)16-17-14(10-22-16)12-6-7-15-13(9-12)5-4-8-18(15)23(3,19)20/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyOBQIMOYAZWBEEO-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.23
Rot. Bonds4

About 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole

2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole (PubChem CID 136512826) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
PubChem CID136512826
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
SMILESCOC(C)c1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1
InChIInChI=1S/C16H20N2O3S2/c1-11(21-2)16-17-14(10-22-16)12-6-7-15-13(9-12)5-4-8-18(15)23(3,19)20/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyOBQIMOYAZWBEEO-UHFFFAOYSA-N
XLogP3.23
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
2-(3,4-dimethoxyphenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 29109661
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-(4-methylpiperazin-4-ium-1-yl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 9343804
(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
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
CID 31263057
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 119035720
2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 9356449
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1458463
2-(3-ethoxyphenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 9356452
1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 16561897
ethane;4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole;6-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline;propane
CID 145341938

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole?
The IUPAC name of 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole (CID 136512826) is 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole is COC(C)c1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1.
What is the InChIKey of 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole?
The InChIKey is OBQIMOYAZWBEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-11(21-2)16-17-14(10-22-16)12-6-7-15-13(9-12)5-4-8-18(15)23(3,19)20/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole?
2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole has a molecular weight of 352.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole is sourced from PubChem (CID 136512826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).