N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H17N5O4S — CID 78876385

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 78876385) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 78876385
• Molecular Formula: C20H17N5O4S
• Molecular Weight: 423.45 g/mol
• Exact Mass: 423.10
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3cnc4cc(C)ccn4c3=O)n2)o1
• InChI: InChI=1S/C20H17N5O4S/c1-11-5-6-25-17(7-11)22-9-14(19(25)28)18(27)24-20-23-15(10-30-20)16-4-3-13(29-16)8-21-12(2)26/h3-7,9-10H,8H2,1-2H3,(H,21,26)(H,23,24,27)
• InChIKey: OMNIWUCSPHQEAK-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 118.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.45
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 78876385) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cnc4cc(C)ccn4c3=O)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is OMNIWUCSPHQEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-11-5-6-25-17(7-11)22-9-14(19(25)28)18(27)24-20-23-15(10-30-20)16-4-3-13(29-16)8-21-12(2)26/h3-7,9-10H,8H2,1-2H3,(H,21,26)(H,23,24,27).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 78876385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).