N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide

C17H16N2OS — CID 7193003

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccccc3C)nc2c1
InChIInChI=1S/C17H16N2OS/c1-10-8-12(3)15-14(9-10)18-17(21-15)19-16(20)13-7-5-4-6-11(13)2/h4-9H,1-3H3,(H,18,19,20)
InChIKeyIMDZOPBKAFGTLE-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.47
Rot. Bonds2

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide (PubChem CID 7193003) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
PubChem CID7193003
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccccc3C)nc2c1
InChIInChI=1S/C17H16N2OS/c1-10-8-12(3)15-14(9-10)18-17(21-15)19-16(20)13-7-5-4-6-11(13)2/h4-9H,1-3H3,(H,18,19,20)
InChIKeyIMDZOPBKAFGTLE-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43989177
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718281
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4134437
methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 7152613
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
1-benzyl-3-(5,7-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080904
4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 2150716
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 7192786
[7-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid
CID 22634532

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide (CID 7193003) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide is Cc1cc(C)c2sc(NC(=O)c3ccccc3C)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide?
The InChIKey is IMDZOPBKAFGTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-10-8-12(3)15-14(9-10)18-17(21-15)19-16(20)13-7-5-4-6-11(13)2/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide is sourced from PubChem (CID 7193003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).