N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide

C16H13ClN2OS — CID 8702209

IUPACN-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c3ncsc23)c(C)c1
InChIInChI=1S/C16H13ClN2OS/c1-9-3-4-11(10(2)7-9)16(20)19-13-6-5-12(17)14-15(13)21-8-18-14/h3-8H,1-2H3,(H,19,20)
InChIKeyRVBSKANGBYCCAM-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.82
Rot. Bonds2

About N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide

N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide (PubChem CID 8702209) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide
PubChem CID8702209
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC NameN-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c3ncsc23)c(C)c1
InChIInChI=1S/C16H13ClN2OS/c1-9-3-4-11(10(2)7-9)16(20)19-13-6-5-12(17)14-15(13)21-8-18-14/h3-8H,1-2H3,(H,19,20)
InChIKeyRVBSKANGBYCCAM-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

N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
methyl 4-[(4-chloro-1,3-benzothiazol-7-yl)carbamoyl]benzoate
CID 8702098
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536
N-(4-chloro-1,3-benzothiazol-7-yl)-3-ethylsulfanylbenzamide
CID 8702266
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide (CID 8702209) is N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)c3ncsc23)c(C)c1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide?
The InChIKey is RVBSKANGBYCCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-9-3-4-11(10(2)7-9)16(20)19-13-6-5-12(17)14-15(13)21-8-18-14/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide?
N-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide 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-(4-chloro-1,3-benzothiazol-7-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 8702209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).