4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

C18H18N4O5S2 — CID 16616073

About 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 16616073) has the molecular formula C18H18N4O5S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
• PubChem CID: 16616073
• Molecular Formula: C18H18N4O5S2
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.07
• IUPAC Name: 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
• SMILES: Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1
• InChI: InChI=1S/C18H18N4O5S2/c1-11-17(28-18(25)19-11)29(26,27)22-8-6-21(7-9-22)16(24)13-10-12-4-2-3-5-14(12)20-15(13)23/h2-5,10H,6-9H2,1H3,(H,19,25)(H,20,23)
• InChIKey: GHKLRKZUIPXHLU-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 123.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?

The IUPAC name of 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (CID 16616073) is 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.

What is the SMILES notation for 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?

The canonical SMILES for 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1.

What is the InChIKey of 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?

The InChIKey is GHKLRKZUIPXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S2/c1-11-17(28-18(25)19-11)29(26,27)22-8-6-21(7-9-22)16(24)13-10-12-4-2-3-5-14(12)20-15(13)23/h2-5,10H,6-9H2,1H3,(H,19,25)(H,20,23).

What are the key properties of 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?

4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 434.50 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 16616073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).