ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate

C12H17NO4S — CID 103484760

IUPACethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C12H17NO4S/c1-4-17-11(15)6-5-10(14)7-13-8(2)9(3)18-12(13)16/h4-7H2,1-3H3
InChIKeySJORVGDBKDWYIW-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.44
Rot. Bonds6

About ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate

ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate (PubChem CID 103484760) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate
PubChem CID103484760
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C12H17NO4S/c1-4-17-11(15)6-5-10(14)7-13-8(2)9(3)18-12(13)16/h4-7H2,1-3H3
InChIKeySJORVGDBKDWYIW-UHFFFAOYSA-N
XLogP1.44
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate
CID 82775093
ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate
CID 103484799
3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 55204651
ethyl 5-(1,3-dioxoisoindol-2-yl)-4-oxo(513C)pentanoate
CID 10924265
4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride
CID 119403331
3-[2-(chloromethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 103065782
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
CID 63312910
ethyl 5-(4-methyl-2-oxopyrimidin-1-yl)-4-oxopentanoate
CID 114217409
ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate
CID 103485688
ethyl 4-oxo-5-pyrazol-1-ylpentanoate
CID 103484644
N-(2-cyanoethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylpropanamide
CID 63312767
ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate
CID 103484823

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate (CID 103484760) is ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)Cn1c(C)c(C)sc1=O.
What is the InChIKey of ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate?
The InChIKey is SJORVGDBKDWYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-17-11(15)6-5-10(14)7-13-8(2)9(3)18-12(13)16/h4-7H2,1-3H3.
What are the key properties of ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate?
ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate has a molecular weight of 271.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate is sourced from PubChem (CID 103484760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).