2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate

C16H19NO3S — CID 86939183

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
SMILESCCOc1ccc(C(=O)OCCc2scnc2C)cc1C
InChIInChI=1S/C16H19NO3S/c1-4-19-14-6-5-13(9-11(14)2)16(18)20-8-7-15-12(3)17-10-21-15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyZVYVHLFTVDVXGL-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.56
Rot. Bonds6

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate

2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate (PubChem CID 86939183) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
PubChem CID86939183
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
SMILESCCOc1ccc(C(=O)OCCc2scnc2C)cc1C
InChIInChI=1S/C16H19NO3S/c1-4-19-14-6-5-13(9-11(14)2)16(18)20-8-7-15-12(3)17-10-21-15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyZVYVHLFTVDVXGL-UHFFFAOYSA-N
XLogP3.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-propoxyethyl 4-ethoxy-3-methylbenzoate
CID 86939194
2-ethylsulfanylethyl 4-ethoxy-3-methylbenzoate
CID 86939184
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-(methylsulfanylmethyl)benzoate
CID 86917963
2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate
CID 78838545
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
CID 75376218
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 78804194
ethyl 3,4-diethoxybenzoate
CID 586407
2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate
CID 78782493
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-methoxy-5-nitrobenzoate
CID 60606283
1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031543
2-(4-ethoxy-3-methylphenyl)-2-oxoacetamide
CID 116924441

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate (CID 86939183) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate is CCOc1ccc(C(=O)OCCc2scnc2C)cc1C.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate?
The InChIKey is ZVYVHLFTVDVXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-19-14-6-5-13(9-11(14)2)16(18)20-8-7-15-12(3)17-10-21-15/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate has a molecular weight of 305.40 g/mol, XLogP of 3.56, 6 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 4-ethoxy-3-methylbenzoate is sourced from PubChem (CID 86939183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).