2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

C25H25N3O3S — CID 108749780

About 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (PubChem CID 108749780) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
• PubChem CID: 108749780
• Molecular Formula: C25H25N3O3S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.16
• IUPAC Name: 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
• SMILES: CC(C)CC(=O)N1CCc2nc(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2C1
• InChI: InChI=1S/C25H25N3O3S/c1-16(2)14-22(29)28-13-12-20-21(15-28)32-25(26-20)27-24(31)19-11-7-6-10-18(19)23(30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,27,31)
• InChIKey: NCZMKHJQPDMQSU-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?

The IUPAC name of 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (CID 108749780) is 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.

What is the SMILES notation for 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?

The canonical SMILES for 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is CC(C)CC(=O)N1CCc2nc(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2C1.

What is the InChIKey of 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?

The InChIKey is NCZMKHJQPDMQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-16(2)14-22(29)28-13-12-20-21(15-28)32-25(26-20)27-24(31)19-11-7-6-10-18(19)23(30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,27,31).

What are the key properties of 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?

2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 108749780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).