N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide

C22H17Cl2N3OS — CID 43967951

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3Cl)nc12
InChIInChI=1S/C22H17Cl2N3OS/c1-14-17(23)8-9-19-21(14)26-22(29-19)27(13-15-5-4-10-25-12-15)20(28)11-16-6-2-3-7-18(16)24/h2-10,12H,11,13H2,1H3
InChIKeyWVOFPOSOKBHWOT-UHFFFAOYSA-N
MW442.37 g/mol
LogP6.08
Rot. Bonds5

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43967951) has the molecular formula C22H17Cl2N3OS and a molecular weight of 442.37 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID43967951
Molecular FormulaC22H17Cl2N3OS
Molecular Weight442.37 g/mol
Exact Mass441.05
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3Cl)nc12
InChIInChI=1S/C22H17Cl2N3OS/c1-14-17(23)8-9-19-21(14)26-22(29-19)27(13-15-5-4-10-25-12-15)20(28)11-16-6-2-3-7-18(16)24/h2-10,12H,11,13H2,1H3
InChIKeyWVOFPOSOKBHWOT-UHFFFAOYSA-N
XLogP6.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.37
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
CID 43967968
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 41117811
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 43967123
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966778
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 16952611
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41116032
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 43967313
5-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 40694349
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 18582530
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16821548
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 43966915
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 41115931

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 43967951) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide is Cc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3Cl)nc12.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WVOFPOSOKBHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3OS/c1-14-17(23)8-9-19-21(14)26-22(29-19)27(13-15-5-4-10-25-12-15)20(28)11-16-6-2-3-7-18(16)24/h2-10,12H,11,13H2,1H3.
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 442.37 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43967951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).