methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate

C9H11NO4S — CID 67511506

IUPACmethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)Cc1sc(C)nc1C(=O)OC
InChIInChI=1S/C9H11NO4S/c1-5-10-8(9(12)14-3)6(15-5)4-7(11)13-2/h4H2,1-3H3
InChIKeyKZUUTPHPNMBEDP-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.95
Rot. Bonds3

About methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate

methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 67511506) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID67511506
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)Cc1sc(C)nc1C(=O)OC
InChIInChI=1S/C9H11NO4S/c1-5-10-8(9(12)14-3)6(15-5)4-7(11)13-2/h4H2,1-3H3
InChIKeyKZUUTPHPNMBEDP-UHFFFAOYSA-N
XLogP0.95
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 67511506) is methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)Cc1sc(C)nc1C(=O)OC.
What is the InChIKey of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is KZUUTPHPNMBEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-5-10-8(9(12)14-3)6(15-5)4-7(11)13-2/h4H2,1-3H3.
What are the key properties of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 229.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 67511506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).