(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C16H17NO5S — CID 8783690

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C16H17NO5S/c1-10-9-23-16(20)17(10)7-15(19)22-8-13-6-12(11(2)18)4-5-14(13)21-3/h4-6,9H,7-8H2,1-3H3
InChIKeyUPPWPNGBUVJXCB-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.17
Rot. Bonds6

About (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 8783690) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID8783690
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C16H17NO5S/c1-10-9-23-16(20)17(10)7-15(19)22-8-13-6-12(11(2)18)4-5-14(13)21-3/h4-6,9H,7-8H2,1-3H3
InChIKeyUPPWPNGBUVJXCB-UHFFFAOYSA-N
XLogP2.17
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612383
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8814476
(5-acetyl-2-methoxyphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793463
(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795703
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813224
(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 7779381
methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate
CID 8850705
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535665
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 8783690) is (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is COc1ccc(C(C)=O)cc1COC(=O)Cn1c(C)csc1=O.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is UPPWPNGBUVJXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-10-9-23-16(20)17(10)7-15(19)22-8-13-6-12(11(2)18)4-5-14(13)21-3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 335.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 8783690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).