[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

C14H20N2O3S — CID 55328075

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESC=C(C)CN(CC)C(=O)COC(=O)Cc1csc(C)n1
InChIInChI=1S/C14H20N2O3S/c1-5-16(7-10(2)3)13(17)8-19-14(18)6-12-9-20-11(4)15-12/h9H,2,5-8H2,1,3-4H3
InChIKeyHSBGJPFORNTOHW-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.96
Rot. Bonds7

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 55328075) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID55328075
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESC=C(C)CN(CC)C(=O)COC(=O)Cc1csc(C)n1
InChIInChI=1S/C14H20N2O3S/c1-5-16(7-10(2)3)13(17)8-19-14(18)6-12-9-20-11(4)15-12/h9H,2,5-8H2,1,3-4H3
InChIKeyHSBGJPFORNTOHW-UHFFFAOYSA-N
XLogP1.96
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 55507013
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 55316083
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327942
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 31394249
ethyl 2-[2-(2-methoxyacetyl)-1,3-thiazol-4-yl]acetate
CID 155133197
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735
3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328053
ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 134433741
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55317010
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 55328075) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is C=C(C)CN(CC)C(=O)COC(=O)Cc1csc(C)n1.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is HSBGJPFORNTOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-5-16(7-10(2)3)13(17)8-19-14(18)6-12-9-20-11(4)15-12/h9H,2,5-8H2,1,3-4H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 296.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55328075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).