4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one

C17H21N3O3S — CID 138997530

About 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one

4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one (PubChem CID 138997530) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one.

Molecular Properties

• Compound Name: 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one
• PubChem CID: 138997530
• Molecular Formula: C17H21N3O3S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.13
• IUPAC Name: 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one
• SMILES: Cc1ccc(-c2nc(C)c(C(=O)N3CCNC(=O)C3C(C)C)s2)o1
• InChI: InChI=1S/C17H21N3O3S/c1-9(2)13-15(21)18-7-8-20(13)17(22)14-11(4)19-16(24-14)12-6-5-10(3)23-12/h5-6,9,13H,7-8H2,1-4H3,(H,18,21)
• InChIKey: DROUQCHPWQKDRI-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one?

The IUPAC name of 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one (CID 138997530) is 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one.

What is the SMILES notation for 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one?

The canonical SMILES for 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one is Cc1ccc(-c2nc(C)c(C(=O)N3CCNC(=O)C3C(C)C)s2)o1.

What is the InChIKey of 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one?

The InChIKey is DROUQCHPWQKDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-9(2)13-15(21)18-7-8-20(13)17(22)14-11(4)19-16(24-14)12-6-5-10(3)23-12/h5-6,9,13H,7-8H2,1-4H3,(H,18,21).

What are the key properties of 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one?

4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one has a molecular weight of 347.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 138997530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).