ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate

C18H17NO4S — CID 142756451

IUPACethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)Oc1nc2ccccc2s1
InChIInChI=1S/C18H17NO4S/c1-2-22-17(21)15(11-12-7-9-13(20)10-8-12)23-18-19-14-5-3-4-6-16(14)24-18/h3-10,15,20H,2,11H2,1H3
InChIKeyTZRXIZSEVJAAFP-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.56
Rot. Bonds6

About ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate

ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate (PubChem CID 142756451) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate
PubChem CID142756451
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Nameethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)Oc1nc2ccccc2s1
InChIInChI=1S/C18H17NO4S/c1-2-22-17(21)15(11-12-7-9-13(20)10-8-12)23-18-19-14-5-3-4-6-16(14)24-18/h3-10,15,20H,2,11H2,1H3
InChIKeyTZRXIZSEVJAAFP-UHFFFAOYSA-N
XLogP3.56
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
ethyl (2S)-3-[4-[3-[4-(1,3-benzothiazol-2-yl)phenoxy]propoxy]phenyl]-2-ethoxypropanoate
CID 142699943
ethyl 2-(1,3-benzothiazol-2-yl)-3-methylbutanoate
CID 79474808
ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate
CID 86587076
ethyl (Z)-3-(1,3-benzothiazol-2-yloxy)prop-2-enoate
CID 46906543
ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanoate
CID 60656316
ethyl 2,2-bis[2-(1,3-benzothiazol-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 59707819
ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate
CID 19886522
1-(1,3-benzothiazol-2-yloxy)-3-hydroxybutan-2-one
CID 70512470
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
ethyl 3-amino-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoate
CID 121013946

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate (CID 142756451) is ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate is CCOC(=O)C(Cc1ccc(O)cc1)Oc1nc2ccccc2s1.
What is the InChIKey of ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate?
The InChIKey is TZRXIZSEVJAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-2-22-17(21)15(11-12-7-9-13(20)10-8-12)23-18-19-14-5-3-4-6-16(14)24-18/h3-10,15,20H,2,11H2,1H3.
What are the key properties of ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate?
ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate has a molecular weight of 343.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-benzothiazol-2-yloxy)-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 142756451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).