N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide

C21H19N5O4S2 — CID 55543342

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide (PubChem CID 55543342) has the molecular formula C21H19N5O4S2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
• PubChem CID: 55543342
• Molecular Formula: C21H19N5O4S2
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.09
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3noc(C)n3)n2)o1
• InChI: InChI=1S/C21H19N5O4S2/c1-12(27)22-9-14-7-8-17(29-14)16-10-32-21(24-16)25-20(28)15-5-3-4-6-18(15)31-11-19-23-13(2)30-26-19/h3-8,10H,9,11H2,1-2H3,(H,22,27)(H,24,25,28)
• InChIKey: JGQOONIMCVXCRS-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 123.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide (CID 55543342) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3noc(C)n3)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide?

The InChIKey is JGQOONIMCVXCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S2/c1-12(27)22-9-14-7-8-17(29-14)16-10-32-21(24-16)25-20(28)15-5-3-4-6-18(15)31-11-19-23-13(2)30-26-19/h3-8,10H,9,11H2,1-2H3,(H,22,27)(H,24,25,28).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide has a molecular weight of 469.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55543342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).