ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate

C16H20N2O4S2 — CID 59297164

IUPACethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2sc(C)nc2CC(=O)OCC)sc1C
InChIInChI=1S/C16H20N2O4S2/c1-5-21-13(19)7-11-9(3)23-16(18-11)15-12(17-10(4)24-15)8-14(20)22-6-2/h5-8H2,1-4H3
InChIKeyCOGMSQOJQHBXTO-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.09
Rot. Bonds7

About ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate (PubChem CID 59297164) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate
PubChem CID59297164
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Nameethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2sc(C)nc2CC(=O)OCC)sc1C
InChIInChI=1S/C16H20N2O4S2/c1-5-21-13(19)7-11-9(3)23-16(18-11)15-12(17-10(4)24-15)8-14(20)22-6-2/h5-8H2,1-4H3
InChIKeyCOGMSQOJQHBXTO-UHFFFAOYSA-N
XLogP3.09
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate
CID 817050
ethyl 4-(2-ethoxy-2-oxoethyl)-2-iodo-1,3-thiazole-5-carboxylate
CID 69484699
ethyl (2S,3Z)-3-[(2,5-dimethyl-1,3-thiazol-4-yl)methylhydrazinylidene]-2-methylpropanoate
CID 172950866
ethyl 2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 67459217
ethyl 2-[2-(1-benzothiophen-2-yl)-5-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetate
CID 59385120
ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 143933499
ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134683603
ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
CID 82358306
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 91833282
ethyl 2-(3,6-dibromo-2-pyridinyl)acetate
CID 121228136
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
CID 171029890
[2-[[4-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
CID 3982447

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate (CID 59297164) is ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2sc(C)nc2CC(=O)OCC)sc1C.
What is the InChIKey of ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate?
The InChIKey is COGMSQOJQHBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-5-21-13(19)7-11-9(3)23-16(18-11)15-12(17-10(4)24-15)8-14(20)22-6-2/h5-8H2,1-4H3.
What are the key properties of ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate has a molecular weight of 368.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 59297164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).