N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C21H17N3O3S2 — CID 55643516

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55643516) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 55643516
• Molecular Formula: C21H17N3O3S2
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.07
• IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1OCc1cccnc1
• InChI: InChI=1S/C21H17N3O3S2/c1-26-17-7-6-15(10-18(17)27-12-14-4-2-8-22-11-14)23-20(25)16-13-29-21(24-16)19-5-3-9-28-19/h2-11,13H,12H2,1H3,(H,23,25)
• InChIKey: NGRJAXNYKYIGQI-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 55643516) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1OCc1cccnc1.

What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is NGRJAXNYKYIGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c1-26-17-7-6-15(10-18(17)27-12-14-4-2-8-22-11-14)23-20(25)16-13-29-21(24-16)19-5-3-9-28-19/h2-11,13H,12H2,1H3,(H,23,25).

What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55643516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).