N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide

C16H14N2OS — CID 16811077

IUPACN-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc3scnc3c2)c1
InChIInChI=1S/C16H14N2OS/c1-10-3-4-11(2)13(7-10)16(19)18-12-5-6-15-14(8-12)17-9-20-15/h3-9H,1-2H3,(H,18,19)
InChIKeyNSNGLWNRYVPYRA-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.17
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide

N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide (PubChem CID 16811077) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide
PubChem CID16811077
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc3scnc3c2)c1
InChIInChI=1S/C16H14N2OS/c1-10-3-4-11(2)13(7-10)16(19)18-12-5-6-15-14(8-12)17-9-20-15/h3-9H,1-2H3,(H,18,19)
InChIKeyNSNGLWNRYVPYRA-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112525687
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16804006
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(1,3-benzothiazol-5-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 131889264
azane;5-methyl-1,3-benzothiazole
CID 174920703
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316210

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide (CID 16811077) is N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2ccc3scnc3c2)c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide?
The InChIKey is NSNGLWNRYVPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-3-4-11(2)13(7-10)16(19)18-12-5-6-15-14(8-12)17-9-20-15/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide?
N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 16811077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).