3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

C16H14N2OS2 — CID 7615162

IUPAC3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
SMILESCSc1cccc2sc(NC(=O)c3cccc(C)c3)nc12
InChIInChI=1S/C16H14N2OS2/c1-10-5-3-6-11(9-10)15(19)18-16-17-14-12(20-2)7-4-8-13(14)21-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyOFRYUIUFFDRWQR-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.58
Rot. Bonds3

About 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7615162) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7615162
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
SMILESCSc1cccc2sc(NC(=O)c3cccc(C)c3)nc12
InChIInChI=1S/C16H14N2OS2/c1-10-5-3-6-11(9-10)15(19)18-16-17-14-12(20-2)7-4-8-13(14)21-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyOFRYUIUFFDRWQR-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
1-(3,5-dimethylphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081214
2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615215
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147781
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 7615219
2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615172
1-(2,6-difluorophenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121082734
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7615195
2-chloro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 7615222

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide (CID 7615162) is 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide is CSc1cccc2sc(NC(=O)c3cccc(C)c3)nc12.
What is the InChIKey of 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is OFRYUIUFFDRWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-10-5-3-6-11(9-10)15(19)18-16-17-14-12(20-2)7-4-8-13(14)21-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 314.44 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7615162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).