2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride

C21H19Cl2FN4O2S — CID 16824150

IUPAC2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C21H18ClFN4O2S.ClH/c22-15-5-7-16(8-6-15)29-13-19(28)27(11-2-10-26-12-9-24-14-26)21-25-20-17(23)3-1-4-18(20)30-21;/h1,3-9,12,14H,2,10-11,13H2;1H
InChIKeyROUCLDPYRJLYQB-UHFFFAOYSA-N
MW481.38 g/mol
LogP5.21
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride

2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (PubChem CID 16824150) has the molecular formula C21H19Cl2FN4O2S and a molecular weight of 481.38 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
PubChem CID16824150
Molecular FormulaC21H19Cl2FN4O2S
Molecular Weight481.38 g/mol
Exact Mass480.06
IUPAC Name2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C21H18ClFN4O2S.ClH/c22-15-5-7-16(8-6-15)29-13-19(28)27(11-2-10-26-12-9-24-14-26)21-25-20-17(23)3-1-4-18(20)30-21;/h1,3-9,12,14H,2,10-11,13H2;1H
InChIKeyROUCLDPYRJLYQB-UHFFFAOYSA-N
XLogP5.21
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride with MolForge

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide;hydrochloride
CID 44908463
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 16824153
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 44909993
3-(4-chlorophenyl)sulfanyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide;hydrochloride
CID 44908696
N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 41109919
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide;dihydrochloride
CID 56684306
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenoxyacetamide
CID 16824241
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462429
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462508
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 43964547
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43961473
2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride
CID 53351247

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (CID 16824150) is 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(Cl)cc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is ROUCLDPYRJLYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2S.ClH/c22-15-5-7-16(8-6-15)29-13-19(28)27(11-2-10-26-12-9-24-14-26)21-25-20-17(23)3-1-4-18(20)30-21;/h1,3-9,12,14H,2,10-11,13H2;1H.
What are the key properties of 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 481.38 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 16824150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).