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

C16H13ClN2OS — CID 7192499

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1
InChIInChI=1S/C16H13ClN2OS/c1-9-3-5-11(6-4-9)15(20)19-16-18-14-10(2)12(17)7-8-13(14)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyJRQPYYVUIWFCCH-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.82
Rot. Bonds2

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

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 7192499) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID7192499
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1
InChIInChI=1S/C16H13ClN2OS/c1-9-3-5-11(6-4-9)15(20)19-16-18-14-10(2)12(17)7-8-13(14)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyJRQPYYVUIWFCCH-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7267223
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579507
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 2150698
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988809
4-tert-butyl-N-(4,5-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 40603954
1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 3329820
methyl 4-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 2150731
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989097

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 7192499) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is JRQPYYVUIWFCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-9-3-5-11(6-4-9)15(20)19-16-18-14-10(2)12(17)7-8-13(14)21-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 7192499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).