2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

C21H20Cl2FN3O3S — CID 29137710

IUPAC2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C21H20Cl2FN3O3S/c22-14-4-5-17(15(23)12-14)30-13-19(28)27(7-6-26-8-10-29-11-9-26)21-25-20-16(24)2-1-3-18(20)31-21/h1-5,12H,6-11,13H2
InChIKeyLSORJHYMGFDFFT-UHFFFAOYSA-N
MW484.38 g/mol
LogP4.49
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 29137710) has the molecular formula C21H20Cl2FN3O3S and a molecular weight of 484.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID29137710
Molecular FormulaC21H20Cl2FN3O3S
Molecular Weight484.38 g/mol
Exact Mass483.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C21H20Cl2FN3O3S/c22-14-4-5-17(15(23)12-14)30-13-19(28)27(7-6-26-8-10-29-11-9-26)21-25-20-16(24)2-1-3-18(20)31-21/h1-5,12H,6-11,13H2
InChIKeyLSORJHYMGFDFFT-UHFFFAOYSA-N
XLogP4.49
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44934840
2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 25319740
2-(4-ethoxyphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997637
2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933068
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,3-diphenylpropanamide
CID 43997322
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997201
5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 18583130
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997316
2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997282
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933048
2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 18583302
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997207

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 29137710) is 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is LSORJHYMGFDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FN3O3S/c22-14-4-5-17(15(23)12-14)30-13-19(28)27(7-6-26-8-10-29-11-9-26)21-25-20-16(24)2-1-3-18(20)31-21/h1-5,12H,6-11,13H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 484.38 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 29137710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).