N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide

C19H16N2OS2 — CID 7565109

IUPACN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1
InChIInChI=1S/C19H16N2OS2/c1-23-14-7-4-6-13(11-14)18(22)21-19-20-17-15-8-3-2-5-12(15)9-10-16(17)24-19/h2-8,11H,9-10H2,1H3,(H,20,21,22)
InChIKeyKCZLIIBYODVNHZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.88
Rot. Bonds3

About N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide

N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide (PubChem CID 7565109) has the molecular formula C19H16N2OS2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
PubChem CID7565109
Molecular FormulaC19H16N2OS2
Molecular Weight352.48 g/mol
Exact Mass352.07
IUPAC NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1
InChIInChI=1S/C19H16N2OS2/c1-23-14-7-4-6-13(11-14)18(22)21-19-20-17-15-8-3-2-5-12(15)9-10-16(17)24-19/h2-8,11H,9-10H2,1H3,(H,20,21,22)
InChIKeyKCZLIIBYODVNHZ-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 8670021
3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 8915211
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
CID 848058
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylcarbamothioyl)benzamide
CID 2324546
2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 39177725
2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 74077421
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16831192
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838708
4-[benzyl(propan-2-yl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16833532
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide (CID 7565109) is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide.
What is the SMILES notation for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The canonical SMILES for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1.
What is the InChIKey of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The InChIKey is KCZLIIBYODVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS2/c1-23-14-7-4-6-13(11-14)18(22)21-19-20-17-15-8-3-2-5-12(15)9-10-16(17)24-19/h2-8,11H,9-10H2,1H3,(H,20,21,22).
What are the key properties of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide?
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide is sourced from PubChem (CID 7565109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).