1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone

C21H28N2O2S — CID 99623859

IUPAC1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone
SMILESCO[C@H](C)c1nc(CC(=O)N2CCCc3cc(C(C)(C)C)ccc32)cs1
InChIInChI=1S/C21H28N2O2S/c1-14(25-5)20-22-17(13-26-20)12-19(24)23-10-6-7-15-11-16(21(2,3)4)8-9-18(15)23/h8-9,11,13-14H,6-7,10,12H2,1-5H3/t14-/m1/s1
InChIKeyPFWHROUXMZCDGG-CQSZACIVSA-N
MW372.53 g/mol
LogP4.67
Rot. Bonds4

About 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone

1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 99623859) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone
PubChem CID99623859
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone
SMILESCO[C@H](C)c1nc(CC(=O)N2CCCc3cc(C(C)(C)C)ccc32)cs1
InChIInChI=1S/C21H28N2O2S/c1-14(25-5)20-22-17(13-26-20)12-19(24)23-10-6-7-15-11-16(21(2,3)4)8-9-18(15)23/h8-9,11,13-14H,6-7,10,12H2,1-5H3/t14-/m1/s1
InChIKeyPFWHROUXMZCDGG-CQSZACIVSA-N
XLogP4.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55686184
N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435258
1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 39138168
N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166216398
ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883899
N-[4-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166195924
1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide
CID 167750557
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31013731
1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 75437444
N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 167773591
2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 136512826
2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 121038624

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone (CID 99623859) is 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone is CO[C@H](C)c1nc(CC(=O)N2CCCc3cc(C(C)(C)C)ccc32)cs1.
What is the InChIKey of 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is PFWHROUXMZCDGG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-14(25-5)20-22-17(13-26-20)12-19(24)23-10-6-7-15-11-16(21(2,3)4)8-9-18(15)23/h8-9,11,13-14H,6-7,10,12H2,1-5H3/t14-/m1/s1.
What are the key properties of 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone?
1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 372.53 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 99623859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).