(3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H18N2O4S — CID 2151008

About (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2151008) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• PubChem CID: 2151008
• Molecular Formula: C19H18N2O4S
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.10
• IUPAC Name: (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• SMILES: COc1ccc(C)c2s/c(=N\C(=O)[C@H]3COc4ccccc4O3)n(C)c12
• InChI: InChI=1S/C19H18N2O4S/c1-11-8-9-14(23-3)16-17(11)26-19(21(16)2)20-18(22)15-10-24-12-6-4-5-7-13(12)25-15/h4-9,15H,10H2,1-3H3/b20-19-/t15-/m1/s1
• InChIKey: LOASGLYJLXDMOJ-MVZUJROASA-N
• XLogP: 2.82
• TPSA: 62.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The IUPAC name of (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2151008) is (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

What is the SMILES notation for (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The canonical SMILES for (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1ccc(C)c2s/c(=N\C(=O)[C@H]3COc4ccccc4O3)n(C)c12.

What is the InChIKey of (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The InChIKey is LOASGLYJLXDMOJ-MVZUJROASA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11-8-9-14(23-3)16-17(11)26-19(21(16)2)20-18(22)15-10-24-12-6-4-5-7-13(12)25-15/h4-9,15H,10H2,1-3H3/b20-19-/t15-/m1/s1.

What are the key properties of (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

(3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2151008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).