ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C17H19N3O3S — CID 16883899

IUPACethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(CC(=O)N2CCCc3ccccc32)cs1
InChIInChI=1S/C17H19N3O3S/c1-2-23-17(22)19-16-18-13(11-24-16)10-15(21)20-9-5-7-12-6-3-4-8-14(12)20/h3-4,6,8,11H,2,5,7,9-10H2,1H3,(H,18,19,22)
InChIKeyJOWYDNCCKFJBSJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.23
Rot. Bonds4

About ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883899) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883899
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Nameethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(CC(=O)N2CCCc3ccccc32)cs1
InChIInChI=1S/C17H19N3O3S/c1-2-23-17(22)19-16-18-13(11-24-16)10-15(21)20-9-5-7-12-6-3-4-8-14(12)20/h3-4,6,8,11H,2,5,7,9-10H2,1H3,(H,18,19,22)
InChIKeyJOWYDNCCKFJBSJ-UHFFFAOYSA-N
XLogP3.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227760
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31013731
ethyl 2-[2-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2491476
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43138079
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 94282565
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
CID 110462924
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110342119
2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884025
1-(3-chlorophenyl)-3-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]urea
CID 27454013
N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55610173
N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 126795585

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16883899) is ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(CC(=O)N2CCCc3ccccc32)cs1.
What is the InChIKey of ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is JOWYDNCCKFJBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-23-17(22)19-16-18-13(11-24-16)10-15(21)20-9-5-7-12-6-3-4-8-14(12)20/h3-4,6,8,11H,2,5,7,9-10H2,1H3,(H,18,19,22).
What are the key properties of ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 345.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).