[2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone

C60H66ClF11N12O8S4 — CID 159362498

About [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone

[2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone (PubChem CID 159362498) has the molecular formula C60H66ClF11N12O8S4 and a molecular weight of 1455.96 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone.

Molecular Properties

• Compound Name: [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone
• PubChem CID: 159362498
• Molecular Formula: C60H66ClF11N12O8S4
• Molecular Weight: 1455.96 g/mol
• Exact Mass: 1454.35
• IUPAC Name: [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone
• SMILES: C=S1(=O)CCC(C(=O)N2CCN(c3cnc(C(F)(F)F)cn3)CC2c2ccc(Cl)s2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3nnc(C(F)(F)F)o3)CC2c2ccccc2F)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3noc(C(F)(F)F)n3)CC2c2ccc(F)cc2)CC1
• InChI: InChI=1S/C20H22ClF3N4O2S2.2C20H22F4N4O3S/c1-32(30)8-4-13(5-9-32)19(29)28-7-6-27(12-14(28)15-2-3-17(21)31-15)18-11-25-16(10-26-18)20(22,23)24;1-32(30)10-6-14(7-11-32)17(29)28-9-8-27(19-25-18(31-26-19)20(22,23)24)12-16(28)13-2-4-15(21)5-3-13;1-32(30)10-6-13(7-11-32)17(29)28-9-8-27(19-26-25-18(31-19)20(22,23)24)12-16(28)14-4-2-3-5-15(14)21/h2-3,10-11,13-14H,1,4-9,12H2;2-5,14,16H,1,6-12H2;2-5,13,16H,1,6-12H2
• InChIKey: LISGDVOKEFIXPJ-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 225.48 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1455.96
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone?

The IUPAC name of [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone (CID 159362498) is [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone.

What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone?

The canonical SMILES for [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone is C=S1(=O)CCC(C(=O)N2CCN(c3cnc(C(F)(F)F)cn3)CC2c2ccc(Cl)s2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3nnc(C(F)(F)F)o3)CC2c2ccccc2F)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3noc(C(F)(F)F)n3)CC2c2ccc(F)cc2)CC1.

What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone?

The InChIKey is LISGDVOKEFIXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N4O2S2.2C20H22F4N4O3S/c1-32(30)8-4-13(5-9-32)19(29)28-7-6-27(12-14(28)15-2-3-17(21)31-15)18-11-25-16(10-26-18)20(22,23)24;1-32(30)10-6-14(7-11-32)17(29)28-9-8-27(19-25-18(31-26-19)20(22,23)24)12-16(28)13-2-4-15(21)5-3-13;1-32(30)10-6-13(7-11-32)17(29)28-9-8-27(19-26-25-18(31-19)20(22,23)24)12-16(28)14-4-2-3-5-15(14)21/h2-3,10-11,13-14H,1,4-9,12H2;2-5,14,16H,1,6-12H2;2-5,13,16H,1,6-12H2.

What are the key properties of [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone?

[2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone has a molecular weight of 1455.96 g/mol, XLogP of 9.21, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone is sourced from PubChem (CID 159362498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).