4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H16N4O2S2 — CID 25400607

About 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 25400607) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 25400607
• Molecular Formula: C19H16N4O2S2
• Molecular Weight: 396.50 g/mol
• Exact Mass: 396.07
• IUPAC Name: 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccc(CNC(=O)c3sc(-c4ccccn4)nc3C)o2)cs1
• InChI: InChI=1S/C19H16N4O2S2/c1-11-17(27-19(22-11)14-5-3-4-8-20-14)18(24)21-9-13-6-7-16(25-13)15-10-26-12(2)23-15/h3-8,10H,9H2,1-2H3,(H,21,24)
• InChIKey: XNCXLLGYNBBWTI-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.50
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 25400607) is 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(CNC(=O)c3sc(-c4ccccn4)nc3C)o2)cs1.

What is the InChIKey of 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is XNCXLLGYNBBWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-11-17(27-19(22-11)14-5-3-4-8-20-14)18(24)21-9-13-6-7-16(25-13)15-10-26-12(2)23-15/h3-8,10H,9H2,1-2H3,(H,21,24).

What are the key properties of 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25400607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).