ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate

C14H13NO4S — CID 10469519

IUPACethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C14H13NO4S/c1-3-19-14(17)11-8-20-12(15-11)9-4-6-10(7-5-9)13(16)18-2/h4-8H,3H2,1-2H3
InChIKeyWDAIETAWSUHWPW-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.77
Rot. Bonds4

About ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 10469519) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID10469519
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Nameethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C14H13NO4S/c1-3-19-14(17)11-8-20-12(15-11)9-4-6-10(7-5-9)13(16)18-2/h4-8H,3H2,1-2H3
InChIKeyWDAIETAWSUHWPW-UHFFFAOYSA-N
XLogP2.77
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate (CID 10469519) is ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(C(=O)OC)cc2)n1.
What is the InChIKey of ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WDAIETAWSUHWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-3-19-14(17)11-8-20-12(15-11)9-4-6-10(7-5-9)13(16)18-2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxycarbonylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10469519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).