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

C14H15NO3S — CID 7540952

IUPACethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C14H15NO3S/c1-4-18-14(16)12-9(2)15-13(19-12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3
InChIKeyJSRLIKYMFUPJKF-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.30
Rot. Bonds4

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

ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 7540952) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID7540952
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C14H15NO3S/c1-4-18-14(16)12-9(2)15-13(19-12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3
InChIKeyJSRLIKYMFUPJKF-UHFFFAOYSA-N
XLogP3.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 7540952) is ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(OC)cc2)nc1C.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is JSRLIKYMFUPJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-4-18-14(16)12-9(2)15-13(19-12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7540952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).