N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide

C17H14Cl2N2OS — CID 8670569

IUPACN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c(C)c1
InChIInChI=1S/C17H14Cl2N2OS/c1-9-3-4-11(10(2)7-9)8-14(22)20-17-21-16-13(23-17)6-5-12(18)15(16)19/h3-7H,8H2,1-2H3,(H,20,21,22)
InChIKeyHNOOIKGHYGYBPL-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.40
Rot. Bonds3

About N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide (PubChem CID 8670569) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
PubChem CID8670569
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c(C)c1
InChIInChI=1S/C17H14Cl2N2OS/c1-9-3-4-11(10(2)7-9)8-14(22)20-17-21-16-13(23-17)6-5-12(18)15(16)19/h3-7H,8H2,1-2H3,(H,20,21,22)
InChIKeyHNOOIKGHYGYBPL-UHFFFAOYSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849433
2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615157
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 7597039
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988809
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
2-(4-bromophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7926926
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 43988757
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7192820
2-(2,5-dichlorophenyl)sulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7547988
4-tert-butyl-N-(4,5-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 40603954

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide (CID 8670569) is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c(C)c1.
What is the InChIKey of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is HNOOIKGHYGYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-9-3-4-11(10(2)7-9)8-14(22)20-17-21-16-13(23-17)6-5-12(18)15(16)19/h3-7H,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide?
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 365.29 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 8670569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).