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

C17H16N2OS — CID 3329681

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1
InChIInChI=1S/C17H16N2OS/c1-10-4-7-13(8-5-10)16(20)19-17-18-15-12(3)11(2)6-9-14(15)21-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyKOCOQMMWAISQEN-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.47
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 3329681) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID3329681
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1
InChIInChI=1S/C17H16N2OS/c1-10-4-7-13(8-5-10)16(20)19-17-18-15-12(3)11(2)6-9-14(15)21-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyKOCOQMMWAISQEN-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-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-1-(4-methylphenyl)ethanone
CID 19213615
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853093
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 121082978
2,6-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 35591092
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 3386091
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080705
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide
CID 4248363
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 N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 3329681) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is KOCOQMMWAISQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-10-4-7-13(8-5-10)16(20)19-17-18-15-12(3)11(2)6-9-14(15)21-17/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-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-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 3329681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).