3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide

C15H9Cl3N2OS — CID 42387615

IUPAC3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)nc12
InChIInChI=1S/C15H9Cl3N2OS/c1-7-2-9(16)6-12-13(7)19-15(22-12)20-14(21)8-3-10(17)5-11(18)4-8/h2-6H,1H3,(H,19,20,21)
InChIKeyRICPJXFLPPLYGH-UHFFFAOYSA-N
MW371.68 g/mol
LogP5.82
Rot. Bonds2

About 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide

3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 42387615) has the molecular formula C15H9Cl3N2OS and a molecular weight of 371.68 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID42387615
Molecular FormulaC15H9Cl3N2OS
Molecular Weight371.68 g/mol
Exact Mass369.95
IUPAC Name3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)nc12
InChIInChI=1S/C15H9Cl3N2OS/c1-7-2-9(16)6-12-13(7)19-15(22-12)20-14(21)8-3-10(17)5-11(18)4-8/h2-6H,1H3,(H,19,20,21)
InChIKeyRICPJXFLPPLYGH-UHFFFAOYSA-N
XLogP5.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.68
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3438297
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 42387687
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43989202
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989210
(2R)-2-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 28662156
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 5003139
4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3567285
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 121041666
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4058144
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254759
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 42387615) is 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc(Cl)cc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)nc12.
What is the InChIKey of 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RICPJXFLPPLYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2OS/c1-7-2-9(16)6-12-13(7)19-15(22-12)20-14(21)8-3-10(17)5-11(18)4-8/h2-6H,1H3,(H,19,20,21).
What are the key properties of 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 371.68 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 42387615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).