N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C23H20N4O3S — CID 86946499

About N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 86946499) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 86946499
• Molecular Formula: C23H20N4O3S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.13
• IUPAC Name: N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(CCNC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O)Nc1ccccc1
• InChI: InChI=1S/C23H20N4O3S/c28-20(26-17-9-5-2-6-10-17)11-12-24-21(29)19-14-25-23-27(22(19)30)15-18(31-23)13-16-7-3-1-4-8-16/h1-10,14-15H,11-13H2,(H,24,29)(H,26,28)
• InChIKey: DCIFAPJOGRLGCN-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 92.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 86946499) is N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(CCNC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O)Nc1ccccc1.

What is the InChIKey of N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is DCIFAPJOGRLGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-20(26-17-9-5-2-6-10-17)11-12-24-21(29)19-14-25-23-27(22(19)30)15-18(31-23)13-16-7-3-1-4-8-16/h1-10,14-15H,11-13H2,(H,24,29)(H,26,28).

What are the key properties of N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 86946499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).