3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide

C25H21N3O2S — CID 67943747

About 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide

3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide (PubChem CID 67943747) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide.

Molecular Properties

• Compound Name: 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
• PubChem CID: 67943747
• Molecular Formula: C25H21N3O2S
• Molecular Weight: 427.53 g/mol
• Exact Mass: 427.14
• IUPAC Name: 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
• SMILES: Cc1ccc(Oc2cccc(C(=O)Nc3ccn4c3CSC4c3cccnc3)c2)cc1
• InChI: InChI=1S/C25H21N3O2S/c1-17-7-9-20(10-8-17)30-21-6-2-4-18(14-21)24(29)27-22-11-13-28-23(22)16-31-25(28)19-5-3-12-26-15-19/h2-15,25H,16H2,1H3,(H,27,29)
• InChIKey: VLVGOAMJYXAASR-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.53
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?

The IUPAC name of 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide (CID 67943747) is 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide.

What is the SMILES notation for 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?

The canonical SMILES for 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide is Cc1ccc(Oc2cccc(C(=O)Nc3ccn4c3CSC4c3cccnc3)c2)cc1.

What is the InChIKey of 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?

The InChIKey is VLVGOAMJYXAASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-17-7-9-20(10-8-17)30-21-6-2-4-18(14-21)24(29)27-22-11-13-28-23(22)16-31-25(28)19-5-3-12-26-15-19/h2-15,25H,16H2,1H3,(H,27,29).

What are the key properties of 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide?

3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide has a molecular weight of 427.53 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylphenoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide is sourced from PubChem (CID 67943747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).