[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone

C63H71F11N12O7S4 — CID 160699800

About [2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone

[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone (PubChem CID 160699800) has the molecular formula C63H71F11N12O7S4 and a molecular weight of 1445.58 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
• PubChem CID: 160699800
• Molecular Formula: C63H71F11N12O7S4
• Molecular Weight: 1445.58 g/mol
• Exact Mass: 1444.43
• IUPAC Name: [2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
• SMILES: C=S1(=O)CCC(C(=O)N2CCN(c3cc(C(F)(F)F)on3)CC2c2ccccc2F)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3cnc(C(F)(F)F)cn3)CC2c2ncc(C)s2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2c2ccc(F)cc2)CC1
• InChI: InChI=1S/C22H24F4N4O2S.C21H23F4N3O3S.C20H24F3N5O2S2/c1-33(32)10-6-16(7-11-33)20(31)30-9-8-29(14-19(30)15-2-4-18(23)5-3-15)21-27-12-17(13-28-21)22(24,25)26;1-32(30)10-6-14(7-11-32)20(29)28-9-8-27(19-12-18(31-26-19)21(23,24)25)13-17(28)15-4-2-3-5-16(15)22;1-13-9-26-18(31-13)15-12-27(17-11-24-16(10-25-17)20(21,22)23)5-6-28(15)19(29)14-3-7-32(2,30)8-4-14/h2-5,12-13,16,19H,1,6-11,14H2;2-5,12,14,17H,1,6-11,13H2;9-11,14-15H,2-8,12H2,1H3
• InChIKey: RQLWEUJWXOWMFM-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 212.34 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1445.58
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone (CID 160699800) is [2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone.

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

The canonical SMILES for [2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone is C=S1(=O)CCC(C(=O)N2CCN(c3cc(C(F)(F)F)on3)CC2c2ccccc2F)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3cnc(C(F)(F)F)cn3)CC2c2ncc(C)s2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2c2ccc(F)cc2)CC1.

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

The InChIKey is RQLWEUJWXOWMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O2S.C21H23F4N3O3S.C20H24F3N5O2S2/c1-33(32)10-6-16(7-11-33)20(31)30-9-8-29(14-19(30)15-2-4-18(23)5-3-15)21-27-12-17(13-28-21)22(24,25)26;1-32(30)10-6-14(7-11-32)20(29)28-9-8-27(19-12-18(31-26-19)21(23,24)25)13-17(28)15-4-2-3-5-16(15)22;1-13-9-26-18(31-13)15-12-27(17-11-24-16(10-25-17)20(21,22)23)5-6-28(15)19(29)14-3-7-32(2,30)8-4-14/h2-5,12-13,16,19H,1,6-11,14H2;2-5,12,14,17H,1,6-11,13H2;9-11,14-15H,2-8,12H2,1H3.

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

[2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone has a molecular weight of 1445.58 g/mol, XLogP of 9.28, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;(1-methylidene-1-oxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 160699800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).