ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate

C11H15NO4S2 — CID 2148129

IUPACethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)CSc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C11H15NO4S2/c1-4-15-8(13)6-17-11-12-7(3)9(18-11)10(14)16-5-2/h4-6H2,1-3H3
InChIKeyNRDNYMGNGMMAFS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.28
Rot. Bonds6

About ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2148129) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2148129
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)CSc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C11H15NO4S2/c1-4-15-8(13)6-17-11-12-7(3)9(18-11)10(14)16-5-2/h4-6H2,1-3H3
InChIKeyNRDNYMGNGMMAFS-UHFFFAOYSA-N
XLogP2.28
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate (CID 2148129) is ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)CSc1nc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is NRDNYMGNGMMAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-4-15-8(13)6-17-11-12-7(3)9(18-11)10(14)16-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2148129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).