N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide

C21H15ClN2O2S — CID 1358809

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C21H15ClN2O2S/c22-16-5-1-3-7-18(16)26-13-20(25)23-15-11-9-14(10-12-15)21-24-17-6-2-4-8-19(17)27-21/h1-12H,13H2,(H,23,25)
InChIKeyVKNHUJFWOVRCRK-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.63
Rot. Bonds5

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 1358809) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
PubChem CID1358809
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C21H15ClN2O2S/c22-16-5-1-3-7-18(16)26-13-20(25)23-15-11-9-14(10-12-15)21-24-17-6-2-4-8-19(17)27-21/h1-12H,13H2,(H,23,25)
InChIKeyVKNHUJFWOVRCRK-UHFFFAOYSA-N
XLogP5.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 619665
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 45103532
1-[4-(1,3-Benzothiazol-2-ylmethoxy)-3-methylphenyl]-3-(3,5-dichlorophenyl)urea
CID 155558153
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 2090688
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide
CID 1133003
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 16015830
1-[4-(1,3-Benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 980457
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 1362904
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 1364257
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 1364295
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 1366812

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide (CID 1358809) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is VKNHUJFWOVRCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-16-5-1-3-7-18(16)26-13-20(25)23-15-11-9-14(10-12-15)21-24-17-6-2-4-8-19(17)27-21/h1-12H,13H2,(H,23,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 394.88 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 1358809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).