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

C17H20N2O3S — CID 71264796

IUPACethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate
SMILESCCOC(=O)CC1CN(c2nc(-c3cc(C)ccc3O)cs2)C1
InChIInChI=1S/C17H20N2O3S/c1-3-22-16(21)7-12-8-19(9-12)17-18-14(10-23-17)13-6-11(2)4-5-15(13)20/h4-6,10,12,20H,3,7-9H2,1-2H3
InChIKeyUARVGELTUPTACW-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.21
Rot. Bonds5

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

ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate (PubChem CID 71264796) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate
PubChem CID71264796
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate
SMILESCCOC(=O)CC1CN(c2nc(-c3cc(C)ccc3O)cs2)C1
InChIInChI=1S/C17H20N2O3S/c1-3-22-16(21)7-12-8-19(9-12)17-18-14(10-23-17)13-6-11(2)4-5-15(13)20/h4-6,10,12,20H,3,7-9H2,1-2H3
InChIKeyUARVGELTUPTACW-UHFFFAOYSA-N
XLogP3.21
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate (CID 71264796) is ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate is CCOC(=O)CC1CN(c2nc(-c3cc(C)ccc3O)cs2)C1.
What is the InChIKey of ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate?
The InChIKey is UARVGELTUPTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-22-16(21)7-12-8-19(9-12)17-18-14(10-23-17)13-6-11(2)4-5-15(13)20/h4-6,10,12,20H,3,7-9H2,1-2H3.
What are the key properties of ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate?
ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate has a molecular weight of 332.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetate is sourced from PubChem (CID 71264796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).