4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

C20H22N4O5S3 — CID 16616025

About 4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 16616025) has the molecular formula C20H22N4O5S3 and a molecular weight of 494.62 g/mol. Its IUPAC name is 4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
• PubChem CID: 16616025
• Molecular Formula: C20H22N4O5S3
• Molecular Weight: 494.62 g/mol
• Exact Mass: 494.08
• IUPAC Name: 4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
• SMILES: Cc1nc(COc2ccc(C(=O)N3CCN(S(=O)(=O)c4sc(=O)[nH]c4C)CC3)cc2)cs1
• InChI: InChI=1S/C20H22N4O5S3/c1-13-19(31-20(26)21-13)32(27,28)24-9-7-23(8-10-24)18(25)15-3-5-17(6-4-15)29-11-16-12-30-14(2)22-16/h3-6,12H,7-11H2,1-2H3,(H,21,26)
• InChIKey: UGVPNQATIXUGBO-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 112.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.62
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (CID 16616025) is 4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.

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

The canonical SMILES for 4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is Cc1nc(COc2ccc(C(=O)N3CCN(S(=O)(=O)c4sc(=O)[nH]c4C)CC3)cc2)cs1.

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

The InChIKey is UGVPNQATIXUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S3/c1-13-19(31-20(26)21-13)32(27,28)24-9-7-23(8-10-24)18(25)15-3-5-17(6-4-15)29-11-16-12-30-14(2)22-16/h3-6,12H,7-11H2,1-2H3,(H,21,26).

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

4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 494.62 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 16616025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).