3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide

C20H18N2O5S — CID 24506027

About 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide

3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 24506027) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 24506027
• Molecular Formula: C20H18N2O5S
• Molecular Weight: 398.44 g/mol
• Exact Mass: 398.09
• IUPAC Name: 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: CC(=O)c1cc(CCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)oc1C
• InChI: InChI=1S/C20H18N2O5S/c1-11(23)15-8-14(27-12(15)2)4-6-19(24)22-20-21-16(9-28-20)13-3-5-17-18(7-13)26-10-25-17/h3,5,7-9H,4,6,10H2,1-2H3,(H,21,22,24)
• InChIKey: HPKCRIYWTPTSGH-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.44
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide (CID 24506027) is 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide is CC(=O)c1cc(CCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)oc1C.

What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is HPKCRIYWTPTSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-11(23)15-8-14(27-12(15)2)4-6-19(24)22-20-21-16(9-28-20)13-3-5-17-18(7-13)26-10-25-17/h3,5,7-9H,4,6,10H2,1-2H3,(H,21,22,24).

What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide?

3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 398.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24506027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).