2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide

C20H19Cl2F2N3O2S — CID 41348715

IUPAC2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C20H19Cl2F2N3O2S/c1-26(2)6-3-7-27(18(28)11-29-16-5-4-12(21)8-14(16)22)20-25-19-15(24)9-13(23)10-17(19)30-20/h4-5,8-10H,3,6-7,11H2,1-2H3
InChIKeyJQEAZWFPILOYJL-UHFFFAOYSA-N
MW474.36 g/mol
LogP5.24
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide

2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 41348715) has the molecular formula C20H19Cl2F2N3O2S and a molecular weight of 474.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID41348715
Molecular FormulaC20H19Cl2F2N3O2S
Molecular Weight474.36 g/mol
Exact Mass473.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C20H19Cl2F2N3O2S/c1-26(2)6-3-7-27(18(28)11-29-16-5-4-12(21)8-14(16)22)20-25-19-15(24)9-13(23)10-17(19)30-20/h4-5,8-10H,3,6-7,11H2,1-2H3
InChIKeyJQEAZWFPILOYJL-UHFFFAOYSA-N
XLogP5.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2-fluorophenoxy)acetamide
CID 43964562
5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methoxybenzamide
CID 43964716
N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44922659
2-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide;hydrochloride
CID 44931448
2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44934840
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4,5-triethoxybenzamide
CID 41348744
2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 41344114
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethoxynaphthalene-1-carboxamide
CID 43964758
2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137710
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclopentanecarboxamide
CID 43964660
(E)-3-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 41348722
2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44927731

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide (CID 41348715) is 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2c(F)cc(F)cc2s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is JQEAZWFPILOYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F2N3O2S/c1-26(2)6-3-7-27(18(28)11-29-16-5-4-12(21)8-14(16)22)20-25-19-15(24)9-13(23)10-17(19)30-20/h4-5,8-10H,3,6-7,11H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 474.36 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 41348715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).