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

C26H23N3O2S — CID 67943734

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

3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide (PubChem CID 67943734) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide.

Molecular Properties

• Compound Name: 3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
• PubChem CID: 67943734
• Molecular Formula: C26H23N3O2S
• Molecular Weight: 441.56 g/mol
• Exact Mass: 441.15
• IUPAC Name: 3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
• SMILES: O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(OCCc2ccccc2)c1
• InChI: InChI=1S/C26H23N3O2S/c30-25(20-8-4-10-22(16-20)31-15-12-19-6-2-1-3-7-19)28-23-11-14-29-24(23)18-32-26(29)21-9-5-13-27-17-21/h1-11,13-14,16-17,26H,12,15,18H2,(H,28,30)
• InChIKey: RXSNVJHJJIYOCP-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.56
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide (CID 67943734) is 3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide.

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

The canonical SMILES for 3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide is O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(OCCc2ccccc2)c1.

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

The InChIKey is RXSNVJHJJIYOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c30-25(20-8-4-10-22(16-20)31-15-12-19-6-2-1-3-7-19)28-23-11-14-29-24(23)18-32-26(29)21-9-5-13-27-17-21/h1-11,13-14,16-17,26H,12,15,18H2,(H,28,30).

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

3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide has a molecular weight of 441.56 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide is sourced from PubChem (CID 67943734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).