N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide

C17H16N2OS2 — CID 7565266

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)c1
InChIInChI=1S/C17H16N2OS2/c1-10-7-11(2)15-14(8-10)18-17(22-15)19-16(20)12-5-4-6-13(9-12)21-3/h4-9H,1-3H3,(H,18,19,20)
InChIKeyCTXKJPUXWOCRQU-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.89
Rot. Bonds3

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide (PubChem CID 7565266) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
PubChem CID7565266
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)c1
InChIInChI=1S/C17H16N2OS2/c1-10-7-11(2)15-14(8-10)18-17(22-15)19-16(20)12-5-4-6-13(9-12)21-3/h4-9H,1-3H3,(H,18,19,20)
InChIKeyCTXKJPUXWOCRQU-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 7152613
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 7192786
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 2150716
N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41046350

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide (CID 7565266) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The InChIKey is CTXKJPUXWOCRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-10-7-11(2)15-14(8-10)18-17(22-15)19-16(20)12-5-4-6-13(9-12)21-3/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide has a molecular weight of 328.46 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide is sourced from PubChem (CID 7565266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).