N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide

C19H12Cl2N2OS — CID 16849433

IUPACN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C19H12Cl2N2OS/c20-14-7-8-15-18(17(14)21)23-19(25-15)22-16(24)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,22,23,24)
InChIKeyZXEGDOXNDMWJJX-UHFFFAOYSA-N
MW387.29 g/mol
LogP5.94
Rot. Bonds3

About N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide (PubChem CID 16849433) has the molecular formula C19H12Cl2N2OS and a molecular weight of 387.29 g/mol. Its IUPAC name is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
PubChem CID16849433
Molecular FormulaC19H12Cl2N2OS
Molecular Weight387.29 g/mol
Exact Mass386.00
IUPAC NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C19H12Cl2N2OS/c20-14-7-8-15-18(17(14)21)23-19(25-15)22-16(24)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,22,23,24)
InChIKeyZXEGDOXNDMWJJX-UHFFFAOYSA-N
XLogP5.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.29
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849484
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 8670569
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7192820
N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 40619545
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
CID 7742065
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 43988757
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxyacetamide
CID 3417887
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849339
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307879
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 2150730

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide (CID 16849433) is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1nc2c(Cl)c(Cl)ccc2s1.
What is the InChIKey of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is ZXEGDOXNDMWJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2OS/c20-14-7-8-15-18(17(14)21)23-19(25-15)22-16(24)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,22,23,24).
What are the key properties of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 387.29 g/mol, XLogP of 5.94, 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 16849433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).