2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide

C16H12Cl2N2OS — CID 3297562

IUPAC2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2sc(NC(=O)c3cc(Cl)ccc3Cl)nc2c1C
InChIInChI=1S/C16H12Cl2N2OS/c1-8-3-6-13-14(9(8)2)19-16(22-13)20-15(21)11-7-10(17)4-5-12(11)18/h3-7H,1-2H3,(H,19,20,21)
InChIKeyIKTZHAIKQKXXAL-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.47
Rot. Bonds2

About 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide

2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3297562) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID3297562
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC Name2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2sc(NC(=O)c3cc(Cl)ccc3Cl)nc2c1C
InChIInChI=1S/C16H12Cl2N2OS/c1-8-3-6-13-14(9(8)2)19-16(22-13)20-15(21)11-7-10(17)4-5-12(11)18/h3-7H,1-2H3,(H,19,20,21)
InChIKeyIKTZHAIKQKXXAL-UHFFFAOYSA-N
XLogP5.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 19209985
2,6-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 35591092
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 19210259
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3575126
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848795
4,5-dibromo-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19219384

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 3297562) is 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2sc(NC(=O)c3cc(Cl)ccc3Cl)nc2c1C.
What is the InChIKey of 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is IKTZHAIKQKXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c1-8-3-6-13-14(9(8)2)19-16(22-13)20-15(21)11-7-10(17)4-5-12(11)18/h3-7H,1-2H3,(H,19,20,21).
What are the key properties of 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 351.26 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3297562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).