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

C21H22N2O3S — CID 24506115

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

3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 24506115) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 24506115
• Molecular Formula: C21H22N2O3S
• Molecular Weight: 382.49 g/mol
• Exact Mass: 382.14
• IUPAC Name: 3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
• SMILES: CC(=O)c1cc(CCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)oc1C
• InChI: InChI=1S/C21H22N2O3S/c1-13-4-6-16(7-5-13)10-18-12-22-21(27-18)23-20(25)9-8-17-11-19(14(2)24)15(3)26-17/h4-7,11-12H,8-10H2,1-3H3,(H,22,23,25)
• InChIKey: MPBZBYYRQONRMO-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 72.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.49
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 24506115) is 3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

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

The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is CC(=O)c1cc(CCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)oc1C.

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

The InChIKey is MPBZBYYRQONRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-13-4-6-16(7-5-13)10-18-12-22-21(27-18)23-20(25)9-8-17-11-19(14(2)24)15(3)26-17/h4-7,11-12H,8-10H2,1-3H3,(H,22,23,25).

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

3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24506115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).