2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone

C23H24N2O4S — CID 15945084

IUPAC2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
SMILESCCOc1cc(/C=C/c2nc3ccccc3s2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O4S/c1-2-28-20-15-17(8-10-22-24-18-5-3-4-6-21(18)30-22)7-9-19(20)29-16-23(26)25-11-13-27-14-12-25/h3-10,15H,2,11-14,16H2,1H3/b10-8+
InChIKeyXQKSVQJRTYCIKN-CSKARUKUSA-N
MW424.52 g/mol
LogP4.10
Rot. Bonds7

About 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone

2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone (PubChem CID 15945084) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
PubChem CID15945084
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
SMILESCCOc1cc(/C=C/c2nc3ccccc3s2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O4S/c1-2-28-20-15-17(8-10-22-24-18-5-3-4-6-21(18)30-22)7-9-19(20)29-16-23(26)25-11-13-27-14-12-25/h3-10,15H,2,11-14,16H2,1H3/b10-8+
InChIKeyXQKSVQJRTYCIKN-CSKARUKUSA-N
XLogP4.10
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone (CID 15945084) is 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone is CCOc1cc(/C=C/c2nc3ccccc3s2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone?
The InChIKey is XQKSVQJRTYCIKN-CSKARUKUSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-2-28-20-15-17(8-10-22-24-18-5-3-4-6-21(18)30-22)7-9-19(20)29-16-23(26)25-11-13-27-14-12-25/h3-10,15H,2,11-14,16H2,1H3/b10-8+.
What are the key properties of 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone?
2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone has a molecular weight of 424.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 15945084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).