[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone

C63H69F13N10O8S4 — CID 158715969

About [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone

[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 158715969) has the molecular formula C63H69F13N10O8S4 and a molecular weight of 1469.55 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 158715969
• Molecular Formula: C63H69F13N10O8S4
• Molecular Weight: 1469.55 g/mol
• Exact Mass: 1468.40
• IUPAC Name: [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: C=S1(=O)CCC(C(=O)N2CCN(c3cc(C(F)(F)F)on3)CC2c2ccc(F)c(F)c2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3cc(C(F)(F)F)on3)CC2c2ccc(F)cc2F)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2c2ncc(C)s2)CC1
• InChI: InChI=1S/2C21H22F5N3O3S.C21H25F3N4O2S2/c1-33(31)8-4-13(5-9-33)20(30)29-7-6-28(19-11-18(32-27-19)21(24,25)26)12-17(29)15-3-2-14(22)10-16(15)23;1-33(31)8-4-13(5-9-33)20(30)29-7-6-28(19-11-18(32-27-19)21(24,25)26)12-17(29)14-2-3-15(22)16(23)10-14;1-14-11-26-19(31-14)17-13-27(18-4-3-16(12-25-18)21(22,23)24)7-8-28(17)20(29)15-5-9-32(2,30)10-6-15/h2*2-3,10-11,13,17H,1,4-9,12H2;3-4,11-12,15,17H,2,5-10,13H2,1H3
• InChIKey: IJHWIAMHSWHLDC-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 199.70 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.55
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone (CID 158715969) is [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone is C=S1(=O)CCC(C(=O)N2CCN(c3cc(C(F)(F)F)on3)CC2c2ccc(F)c(F)c2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3cc(C(F)(F)F)on3)CC2c2ccc(F)cc2F)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2c2ncc(C)s2)CC1.

What is the InChIKey of [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is IJHWIAMHSWHLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22F5N3O3S.C21H25F3N4O2S2/c1-33(31)8-4-13(5-9-33)20(30)29-7-6-28(19-11-18(32-27-19)21(24,25)26)12-17(29)15-3-2-14(22)10-16(15)23;1-33(31)8-4-13(5-9-33)20(30)29-7-6-28(19-11-18(32-27-19)21(24,25)26)12-17(29)14-2-3-15(22)16(23)10-14;1-14-11-26-19(31-14)17-13-27(18-4-3-16(12-25-18)21(22,23)24)7-8-28(17)20(29)15-5-9-32(2,30)10-6-15/h2*2-3,10-11,13,17H,1,4-9,12H2;3-4,11-12,15,17H,2,5-10,13H2,1H3.

What are the key properties of [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone?

[2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 1469.55 g/mol, XLogP of 10.36, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[2-(3,4-difluorophenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-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)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 158715969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).