[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate

C17H19N3O4S — CID 8540264

IUPAC[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCNC(=O)CNC(=O)COC(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C17H19N3O4S/c1-11-4-3-5-12(6-11)17-20-13(10-25-17)7-16(23)24-9-15(22)19-8-14(21)18-2/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFXSQKNKDCUWWRH-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.07
Rot. Bonds7

About [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 8540264) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID8540264
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCNC(=O)CNC(=O)COC(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C17H19N3O4S/c1-11-4-3-5-12(6-11)17-20-13(10-25-17)7-16(23)24-9-15(22)19-8-14(21)18-2/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFXSQKNKDCUWWRH-UHFFFAOYSA-N
XLogP1.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870071
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870397
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870824
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
[(E)-but-2-enyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78831556
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
methyl 6-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
CID 31840507
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802581
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate (CID 8540264) is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate is CNC(=O)CNC(=O)COC(=O)Cc1csc(-c2cccc(C)c2)n1.
What is the InChIKey of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is FXSQKNKDCUWWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-4-3-5-12(6-11)17-20-13(10-25-17)7-16(23)24-9-15(22)19-8-14(21)18-2/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate?
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 361.42 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8540264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).