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

C14H15NO4S — CID 2763629

IUPACethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H15NO4S/c1-4-19-14(16)10-8-20-13(15-10)9-5-6-11(17-2)12(7-9)18-3/h5-8H,4H2,1-3H3
InChIKeySCCKHOLUIPNHFH-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.00
Rot. Bonds5

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

ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 2763629) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID2763629
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Nameethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H15NO4S/c1-4-19-14(16)10-8-20-13(15-10)9-5-6-11(17-2)12(7-9)18-3/h5-8H,4H2,1-3H3
InChIKeySCCKHOLUIPNHFH-UHFFFAOYSA-N
XLogP3.00
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate (CID 2763629) is ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is SCCKHOLUIPNHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-19-14(16)10-8-20-13(15-10)9-5-6-11(17-2)12(7-9)18-3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2763629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).