3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide

C24H19N3O2S — CID 67943740

About 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide

3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide (PubChem CID 67943740) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide.

Molecular Properties

• Compound Name: 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
• PubChem CID: 67943740
• Molecular Formula: C24H19N3O2S
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.12
• IUPAC Name: 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
• SMILES: O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C24H19N3O2S/c28-23(17-6-4-10-20(14-17)29-19-8-2-1-3-9-19)26-21-11-13-27-22(21)16-30-24(27)18-7-5-12-25-15-18/h1-15,24H,16H2,(H,26,28)
• InChIKey: SUWQZHZVYJHVRJ-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?

The IUPAC name of 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide (CID 67943740) is 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide.

What is the SMILES notation for 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?

The canonical SMILES for 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide is O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(Oc2ccccc2)c1.

What is the InChIKey of 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?

The InChIKey is SUWQZHZVYJHVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-23(17-6-4-10-20(14-17)29-19-8-2-1-3-9-19)26-21-11-13-27-22(21)16-30-24(27)18-7-5-12-25-15-18/h1-15,24H,16H2,(H,26,28).

What are the key properties of 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?

3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide is sourced from PubChem (CID 67943740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).