[2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone

C84H94ClF9N16O12S6 — CID 158445142

About [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone

[2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone (PubChem CID 158445142) has the molecular formula C84H94ClF9N16O12S6 and a molecular weight of 1918.61 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
• PubChem CID: 158445142
• Molecular Formula: C84H94ClF9N16O12S6
• Molecular Weight: 1918.61 g/mol
• Exact Mass: 1916.51
• IUPAC Name: [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
• SMILES: O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)cn2)CC1c1ccc(F)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)nc2)CC1c1ccccc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ncc(C3CC3)cn2)CC1c1ccc(Cl)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ncc(C3CC3)cn2)CC1c1ccccc1F
• InChI: InChI=1S/C23H27FN4O3S.C21H25ClN4O3S2.C21H22F4N4O3S.C19H20F4N4O3S2/c24-20-4-2-1-3-19(20)21-15-27(23-25-13-18(14-26-23)16-5-6-16)9-10-28(21)22(29)17-7-11-32(30,31)12-8-17;22-19-4-3-18(30-19)17-13-25(21-23-11-16(12-24-21)14-1-2-14)7-8-26(17)20(27)15-5-9-31(28,29)10-6-15;22-17-4-2-1-3-16(17)18-13-28(15-11-26-20(27-12-15)21(23,24)25)7-8-29(18)19(30)14-5-9-33(31,32)10-6-14;20-16-2-1-14(31-16)13-11-26(17-10-24-15(9-25-17)19(21,22)23)5-6-27(13)18(28)12-3-7-32(29,30)8-4-12/h1-4,13-14,16-17,21H,5-12,15H2;3-4,11-12,14-15,17H,1-2,5-10,13H2;1-4,11-12,14,18H,5-10,13H2;1-2,9-10,12-13H,3-8,11H2
• InChIKey: HDHLKXKHBCWJHI-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 333.88 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.61
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone?

The IUPAC name of [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone (CID 158445142) is [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone?

The canonical SMILES for [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone is O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)cn2)CC1c1ccc(F)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)nc2)CC1c1ccccc1F.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ncc(C3CC3)cn2)CC1c1ccc(Cl)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ncc(C3CC3)cn2)CC1c1ccccc1F.

What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone?

The InChIKey is HDHLKXKHBCWJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S.C21H25ClN4O3S2.C21H22F4N4O3S.C19H20F4N4O3S2/c24-20-4-2-1-3-19(20)21-15-27(23-25-13-18(14-26-23)16-5-6-16)9-10-28(21)22(29)17-7-11-32(30,31)12-8-17;22-19-4-3-18(30-19)17-13-25(21-23-11-16(12-24-21)14-1-2-14)7-8-26(17)20(27)15-5-9-31(28,29)10-6-15;22-17-4-2-1-3-16(17)18-13-28(15-11-26-20(27-12-15)21(23,24)25)7-8-29(18)19(30)14-5-9-33(31,32)10-6-14;20-16-2-1-14(31-16)13-11-26(17-10-24-15(9-25-17)19(21,22)23)5-6-27(13)18(28)12-3-7-32(29,30)8-4-12/h1-4,13-14,16-17,21H,5-12,15H2;3-4,11-12,14-15,17H,1-2,5-10,13H2;1-4,11-12,14,18H,5-10,13H2;1-2,9-10,12-13H,3-8,11H2.

What are the key properties of [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone?

[2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone has a molecular weight of 1918.61 g/mol, XLogP of 11.75, 14 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-chlorothiophen-2-yl)-4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrimidin-2-yl)-2-(2-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 158445142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).