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

C11H17NO3S — CID 78873948

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
SMILESCCOC(C)C(=O)OCCc1scnc1C
InChIInChI=1S/C11H17NO3S/c1-4-14-9(3)11(13)15-6-5-10-8(2)12-7-16-10/h7,9H,4-6H2,1-3H3
InChIKeyDLUNCIDYGFXKIX-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.96
Rot. Bonds6

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

2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate (PubChem CID 78873948) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
PubChem CID78873948
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
SMILESCCOC(C)C(=O)OCCc1scnc1C
InChIInChI=1S/C11H17NO3S/c1-4-14-9(3)11(13)15-6-5-10-8(2)12-7-16-10/h7,9H,4-6H2,1-3H3
InChIKeyDLUNCIDYGFXKIX-UHFFFAOYSA-N
XLogP1.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
CID 43536087
triethyl-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-oxoethyl]azanium bromide
CID 167666489
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62031358
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
CID 65444170
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
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 4-ethoxy-3-methylbenzoate
CID 86939183
diethyl 2-ethyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanedioate
CID 103972970
methyl 2-bromo-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoate
CID 81091489

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate (CID 78873948) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate is CCOC(C)C(=O)OCCc1scnc1C.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate?
The InChIKey is DLUNCIDYGFXKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-14-9(3)11(13)15-6-5-10-8(2)12-7-16-10/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate has a molecular weight of 243.33 g/mol, XLogP of 1.96, 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 2-ethoxypropanoate is sourced from PubChem (CID 78873948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).