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

C15H9Cl3N2OS — CID 979290

IUPAC2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2cc1Cl
InChIInChI=1S/C15H9Cl3N2OS/c1-7-4-13-12(6-10(7)17)19-15(22-13)20-14(21)9-3-2-8(16)5-11(9)18/h2-6H,1H3,(H,19,20,21)
InChIKeyOHFAZLGYEJLRHB-UHFFFAOYSA-N
MW371.68 g/mol
LogP5.82
Rot. Bonds2

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

2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 979290) has the molecular formula C15H9Cl3N2OS and a molecular weight of 371.68 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID979290
Molecular FormulaC15H9Cl3N2OS
Molecular Weight371.68 g/mol
Exact Mass369.95
IUPAC Name2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2cc1Cl
InChIInChI=1S/C15H9Cl3N2OS/c1-7-4-13-12(6-10(7)17)19-15(22-13)20-14(21)9-3-2-8(16)5-11(9)18/h2-6H,1H3,(H,19,20,21)
InChIKeyOHFAZLGYEJLRHB-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

2-chloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 1314620
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 4308951
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
2,4-dichloro-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 1391844
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 979290) is 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is OHFAZLGYEJLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2OS/c1-7-4-13-12(6-10(7)17)19-15(22-13)20-14(21)9-3-2-8(16)5-11(9)18/h2-6H,1H3,(H,19,20,21).
What are the key properties of 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide?
2,4-dichloro-N-(5-chloro-6-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 2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 979290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).