[1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate

C17H18N2O4S — CID 139699990

IUPAC[1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate
SMILESCOc1ccc(C(C)(OC(C)=O)C2C(=O)NC2c2cncs2)cc1
InChIInChI=1S/C17H18N2O4S/c1-10(20)23-17(2,11-4-6-12(22-3)7-5-11)14-15(19-16(14)21)13-8-18-9-24-13/h4-9,14-15H,1-3H3,(H,19,21)
InChIKeyYONJTQTXLRDDJF-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.42
Rot. Bonds5

About [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate

[1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate (PubChem CID 139699990) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate
PubChem CID139699990
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate
SMILESCOc1ccc(C(C)(OC(C)=O)C2C(=O)NC2c2cncs2)cc1
InChIInChI=1S/C17H18N2O4S/c1-10(20)23-17(2,11-4-6-12(22-3)7-5-11)14-15(19-16(14)21)13-8-18-9-24-13/h4-9,14-15H,1-3H3,(H,19,21)
InChIKeyYONJTQTXLRDDJF-UHFFFAOYSA-N
XLogP2.42
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate?
The IUPAC name of [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate (CID 139699990) is [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate.
What is the SMILES notation for [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate?
The canonical SMILES for [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate is COc1ccc(C(C)(OC(C)=O)C2C(=O)NC2c2cncs2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate?
The InChIKey is YONJTQTXLRDDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10(20)23-17(2,11-4-6-12(22-3)7-5-11)14-15(19-16(14)21)13-8-18-9-24-13/h4-9,14-15H,1-3H3,(H,19,21).
What are the key properties of [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate?
[1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate has a molecular weight of 346.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate is sourced from PubChem (CID 139699990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).