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

C23H19ClN2OS — CID 41115931

IUPACN-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(C)c(Cl)ccc3s2)cc1
InChIInChI=1S/C23H19ClN2OS/c1-15-8-10-18(11-9-15)22(27)26(14-17-6-4-3-5-7-17)23-25-21-16(2)19(24)12-13-20(21)28-23/h3-13H,14H2,1-2H3
InChIKeyVWLAKGOUUPXGHC-UHFFFAOYSA-N
MW406.94 g/mol
LogP6.41
Rot. Bonds4

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

N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 41115931) has the molecular formula C23H19ClN2OS and a molecular weight of 406.94 g/mol. Its IUPAC name is N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID41115931
Molecular FormulaC23H19ClN2OS
Molecular Weight406.94 g/mol
Exact Mass406.09
IUPAC NameN-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(C)c(Cl)ccc3s2)cc1
InChIInChI=1S/C23H19ClN2OS/c1-15-8-10-18(11-9-15)22(27)26(14-17-6-4-3-5-7-17)23-25-21-16(2)19(24)12-13-20(21)28-23/h3-13H,14H2,1-2H3
InChIKeyVWLAKGOUUPXGHC-UHFFFAOYSA-N
XLogP6.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.94
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615851
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41116032
N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989882
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41115967
N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 41109819
4-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41117463
methyl 4-[benzyl-(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41109852
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 41117486
N-benzyl-4-(diethylsulfamoyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41115797
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 8670883
N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 41115770
4-butoxy-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41117475

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 41115931) is N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(C)c(Cl)ccc3s2)cc1.
What is the InChIKey of N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is VWLAKGOUUPXGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2OS/c1-15-8-10-18(11-9-15)22(27)26(14-17-6-4-3-5-7-17)23-25-21-16(2)19(24)12-13-20(21)28-23/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 41115931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).