2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

C23H25Cl2N3O3S — CID 25319740

IUPAC2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(C)c2nc(N(CCN3CCOCC3)C(=O)COc3ccc(Cl)cc3Cl)sc2c1
InChIInChI=1S/C23H25Cl2N3O3S/c1-15-11-16(2)22-20(12-15)32-23(26-22)28(6-5-27-7-9-30-10-8-27)21(29)14-31-19-4-3-17(24)13-18(19)25/h3-4,11-13H,5-10,14H2,1-2H3
InChIKeyQKQJRUDUYSYQIH-UHFFFAOYSA-N
MW494.44 g/mol
LogP4.96
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 25319740) has the molecular formula C23H25Cl2N3O3S and a molecular weight of 494.44 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID25319740
Molecular FormulaC23H25Cl2N3O3S
Molecular Weight494.44 g/mol
Exact Mass493.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(C)c2nc(N(CCN3CCOCC3)C(=O)COc3ccc(Cl)cc3Cl)sc2c1
InChIInChI=1S/C23H25Cl2N3O3S/c1-15-11-16(2)22-20(12-15)32-23(26-22)28(6-5-27-7-9-30-10-8-27)21(29)14-31-19-4-3-17(24)13-18(19)25/h3-4,11-13H,5-10,14H2,1-2H3
InChIKeyQKQJRUDUYSYQIH-UHFFFAOYSA-N
XLogP4.96
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide with MolForge

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137710
2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44934840
2,4-dichloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29072290
2-(4-chlorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137821
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997201
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
CID 29138386
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 7622366
4-acetyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29138346
2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997282
3-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29159393
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 29138372
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997222

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 25319740) is 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(C)c2nc(N(CCN3CCOCC3)C(=O)COc3ccc(Cl)cc3Cl)sc2c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is QKQJRUDUYSYQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3S/c1-15-11-16(2)22-20(12-15)32-23(26-22)28(6-5-27-7-9-30-10-8-27)21(29)14-31-19-4-3-17(24)13-18(19)25/h3-4,11-13H,5-10,14H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 494.44 g/mol, XLogP of 4.96, 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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 25319740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).