4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide

C15H10Cl2N2OS — CID 7192526

IUPAC4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1c(Cl)ccc2sc(NC(=O)c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H10Cl2N2OS/c1-8-11(17)6-7-12-13(8)18-15(21-12)19-14(20)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,18,19,20)
InChIKeyDAABZZZYGOJBAS-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.16
Rot. Bonds2

About 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide

4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7192526) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7192526
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1c(Cl)ccc2sc(NC(=O)c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H10Cl2N2OS/c1-8-11(17)6-7-12-13(8)18-15(21-12)19-14(20)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,18,19,20)
InChIKeyDAABZZZYGOJBAS-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7267223
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579507
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 2150698
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
4-tert-butyl-N-(4,5-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 40603954
1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 3329820
methyl 4-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 2150731
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7192526) is 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1c(Cl)ccc2sc(NC(=O)c3ccc(Cl)cc3)nc12.
What is the InChIKey of 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is DAABZZZYGOJBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-8-11(17)6-7-12-13(8)18-15(21-12)19-14(20)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,18,19,20).
What are the key properties of 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 337.23 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7192526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).