[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone

C25H24N4OS3 — CID 30767973

About [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone

[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone (PubChem CID 30767973) has the molecular formula C25H24N4OS3 and a molecular weight of 492.70 g/mol. Its IUPAC name is [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone.

Molecular Properties

• Compound Name: [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
• PubChem CID: 30767973
• Molecular Formula: C25H24N4OS3
• Molecular Weight: 492.70 g/mol
• Exact Mass: 492.11
• IUPAC Name: [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
• SMILES: O=C(c1ccccc1SCc1cscn1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
• InChI: InChI=1S/C25H24N4OS3/c30-25(22-8-4-5-9-23(22)32-17-21-15-31-18-26-21)29-12-10-28(11-13-29)14-20-16-33-24(27-20)19-6-2-1-3-7-19/h1-9,15-16,18H,10-14,17H2
• InChIKey: FMTVNBOSDUAGTH-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 49.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.70
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone?

The IUPAC name of [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone (CID 30767973) is [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone.

What is the SMILES notation for [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone?

The canonical SMILES for [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone is O=C(c1ccccc1SCc1cscn1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1.

What is the InChIKey of [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone?

The InChIKey is FMTVNBOSDUAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS3/c30-25(22-8-4-5-9-23(22)32-17-21-15-31-18-26-21)29-12-10-28(11-13-29)14-20-16-33-24(27-20)19-6-2-1-3-7-19/h1-9,15-16,18H,10-14,17H2.

What are the key properties of [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone?

[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone has a molecular weight of 492.70 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 30767973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).