ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate

C13H13NO4S — CID 135698693

IUPACethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)nc1O
InChIInChI=1S/C13H13NO4S/c1-3-18-13(16)10-11(15)14-12(19-10)8-4-6-9(17-2)7-5-8/h4-7,15H,3H2,1-2H3
InChIKeyATRHVRUEMXFHJB-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.70
Rot. Bonds4

About ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate

ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 135698693) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
PubChem CID135698693
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Nameethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)nc1O
InChIInChI=1S/C13H13NO4S/c1-3-18-13(16)10-11(15)14-12(19-10)8-4-6-9(17-2)7-5-8/h4-7,15H,3H2,1-2H3
InChIKeyATRHVRUEMXFHJB-UHFFFAOYSA-N
XLogP2.70
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate (CID 135698693) is ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(OC)cc2)nc1O.
What is the InChIKey of ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is ATRHVRUEMXFHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-3-18-13(16)10-11(15)14-12(19-10)8-4-6-9(17-2)7-5-8/h4-7,15H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135698693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).