N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide

C26H26N6O2S — CID 108773175

About N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 108773175) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
• PubChem CID: 108773175
• Molecular Formula: C26H26N6O2S
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.18
• IUPAC Name: N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
• SMILES: CC(=O)NC1CCOc2ccc(-c3csc(Nc4nc5ccccc5nc4N4CCCC4)n3)cc21
• InChI: InChI=1S/C26H26N6O2S/c1-16(33)27-19-10-13-34-23-9-8-17(14-18(19)23)22-15-35-26(30-22)31-24-25(32-11-4-5-12-32)29-21-7-3-2-6-20(21)28-24/h2-3,6-9,14-15,19H,4-5,10-13H2,1H3,(H,27,33)(H,28,30,31)
• InChIKey: JKFYBXXHBLHHIJ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.60
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?

The IUPAC name of N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 108773175) is N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide.

What is the SMILES notation for N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?

The canonical SMILES for N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)NC1CCOc2ccc(-c3csc(Nc4nc5ccccc5nc4N4CCCC4)n3)cc21.

What is the InChIKey of N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?

The InChIKey is JKFYBXXHBLHHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-16(33)27-19-10-13-34-23-9-8-17(14-18(19)23)22-15-35-26(30-22)31-24-25(32-11-4-5-12-32)29-21-7-3-2-6-20(21)28-24/h2-3,6-9,14-15,19H,4-5,10-13H2,1H3,(H,27,33)(H,28,30,31).

What are the key properties of N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?

N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 486.60 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 108773175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).