2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate

C17H19NO3S — CID 78782493

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)OCCc2scnc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-3-20-15-7-4-14(5-8-15)6-9-17(19)21-11-10-16-13(2)18-12-22-16/h4-9,12H,3,10-11H2,1-2H3
InChIKeyMONRCKYUTYHUIL-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.65
Rot. Bonds7

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate

2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate (PubChem CID 78782493) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate
PubChem CID78782493
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)OCCc2scnc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-3-20-15-7-4-14(5-8-15)6-9-17(19)21-11-10-16-13(2)18-12-22-16/h4-9,12H,3,10-11H2,1-2H3
InChIKeyMONRCKYUTYHUIL-UHFFFAOYSA-N
XLogP3.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-3-ynyl 3-(4-ethoxyphenyl)prop-2-enoate
CID 76868723
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
prop-2-ynyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 14030026
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854
2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 4566695
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
CID 86939183
2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
CID 4980924
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 55445183

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate (CID 78782493) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate is CCOc1ccc(C=CC(=O)OCCc2scnc2C)cc1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate?
The InChIKey is MONRCKYUTYHUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-20-15-7-4-14(5-8-15)6-9-17(19)21-11-10-16-13(2)18-12-22-16/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate has a molecular weight of 317.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 78782493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).