N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide

C19H18N2O4S — CID 7154189

About N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide

N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide (PubChem CID 7154189) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide
• PubChem CID: 7154189
• Molecular Formula: C19H18N2O4S
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.10
• IUPAC Name: N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)cc1
• InChI: InChI=1S/C19H18N2O4S/c1-11(2)25-13-6-4-12(5-7-13)18(22)20-19-21(3)14-8-15-16(24-10-23-15)9-17(14)26-19/h4-9,11H,10H2,1-3H3/b20-19-
• InChIKey: INEMFMNHBWVEEP-VXPUYCOJSA-N
• XLogP: 3.50
• TPSA: 62.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide?

The IUPAC name of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide (CID 7154189) is N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide?

The canonical SMILES for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)cc1.

What is the InChIKey of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide?

The InChIKey is INEMFMNHBWVEEP-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11(2)25-13-6-4-12(5-7-13)18(22)20-19-21(3)14-8-15-16(24-10-23-15)9-17(14)26-19/h4-9,11H,10H2,1-3H3/b20-19-.

What are the key properties of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide?

N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide has a molecular weight of 370.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7154189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).