1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone

C22H23N3O2S — CID 90953623

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone
SMILESCc1cccc(C)c1Nc1nc(O)c(CC(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C22H23N3O2S/c1-14-7-5-8-15(2)20(14)23-22-24-21(27)18(28-22)13-19(26)25-12-6-10-16-9-3-4-11-17(16)25/h3-5,7-9,11,27H,6,10,12-13H2,1-2H3,(H,23,24)
InChIKeyRRRMFWMVBKZESG-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.73
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone (PubChem CID 90953623) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone
PubChem CID90953623
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone
SMILESCc1cccc(C)c1Nc1nc(O)c(CC(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C22H23N3O2S/c1-14-7-5-8-15(2)20(14)23-22-24-21(27)18(28-22)13-19(26)25-12-6-10-16-9-3-4-11-17(16)25/h3-5,7-9,11,27H,6,10,12-13H2,1-2H3,(H,23,24)
InChIKeyRRRMFWMVBKZESG-UHFFFAOYSA-N
XLogP4.73
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 90882067
2-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-1-(azepan-1-yl)ethanone
CID 90931288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone
CID 4148851
1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 54819245
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
1-(2,3-dihydroindol-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 2095629
ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883899
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanone
CID 119138472
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2366812
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone (CID 90953623) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone is Cc1cccc(C)c1Nc1nc(O)c(CC(=O)N2CCCc3ccccc32)s1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone?
The InChIKey is RRRMFWMVBKZESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-7-5-8-15(2)20(14)23-22-24-21(27)18(28-22)13-19(26)25-12-6-10-16-9-3-4-11-17(16)25/h3-5,7-9,11,27H,6,10,12-13H2,1-2H3,(H,23,24).
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone has a molecular weight of 393.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 90953623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).