2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide

C19H17BrN2O3S — CID 41135949

About 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide

2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide (PubChem CID 41135949) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
• PubChem CID: 41135949
• Molecular Formula: C19H17BrN2O3S
• Molecular Weight: 433.33 g/mol
• Exact Mass: 432.01
• IUPAC Name: 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
• SMILES: CCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc3c(cc21)OCCO3
• InChI: InChI=1S/C19H17BrN2O3S/c1-2-7-22-14-10-15-16(25-9-8-24-15)11-17(14)26-19(22)21-18(23)12-5-3-4-6-13(12)20/h3-6,10-11H,2,7-9H2,1H3/b21-19-
• InChIKey: UEDJAHDRTCNBBJ-VZCXRCSSSA-N
• XLogP: 4.39
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.33
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The IUPAC name of 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide (CID 41135949) is 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc3c(cc21)OCCO3.

What is the InChIKey of 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The InChIKey is UEDJAHDRTCNBBJ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-2-7-22-14-10-15-16(25-9-8-24-15)11-17(14)26-19(22)21-18(23)12-5-3-4-6-13(12)20/h3-6,10-11H,2,7-9H2,1H3/b21-19-.

What are the key properties of 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide has a molecular weight of 433.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41135949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).