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

C25H19N5O3S — CID 43036587

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 43036587) has the molecular formula C25H19N5O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
• PubChem CID: 43036587
• Molecular Formula: C25H19N5O3S
• Molecular Weight: 469.53 g/mol
• Exact Mass: 469.12
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)o1
• InChI: InChI=1S/C25H19N5O3S/c1-15(31)27-13-16-9-10-23(33-16)22-14-34-25(29-22)30-24(32)18-12-21(20-8-4-5-11-26-20)28-19-7-3-2-6-17(18)19/h2-12,14H,13H2,1H3,(H,27,31)(H,29,30,32)
• InChIKey: MEIABFNONPYEJO-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 110.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.53
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 43036587) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)o1.

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

The InChIKey is MEIABFNONPYEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3S/c1-15(31)27-13-16-9-10-23(33-16)22-14-34-25(29-22)30-24(32)18-12-21(20-8-4-5-11-26-20)28-19-7-3-2-6-17(18)19/h2-12,14H,13H2,1H3,(H,27,31)(H,29,30,32).

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 43036587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).