[2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone

C81H90ClF11N14O14S7 — CID 158523018

About [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone

[2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone (PubChem CID 158523018) has the molecular formula C81H90ClF11N14O14S7 and a molecular weight of 1952.59 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone
• PubChem CID: 158523018
• Molecular Formula: C81H90ClF11N14O14S7
• Molecular Weight: 1952.59 g/mol
• Exact Mass: 1950.43
• IUPAC Name: [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone
• SMILES: O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1ccc(Cl)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1ccc(F)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)nc2)CC1c1ccc(F)cc1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C3CC3)cn2)CC1c1ccc(C2CC2)s1
• InChI: InChI=1S/C24H30N4O3S2.C21H22F4N4O3S.C18H19ClF3N3O4S2.C18H19F4N3O4S2/c29-24(18-7-11-33(30,31)12-8-18)28-10-9-27(23-14-25-19(13-26-23)16-1-2-16)15-20(28)22-6-5-21(32-22)17-3-4-17;22-16-3-1-14(2-4-16)18-13-28(17-11-26-20(27-12-17)21(23,24)25)7-8-29(18)19(30)15-5-9-33(31,32)10-6-15;2*19-15-2-1-13(30-15)12-10-24(16-9-14(29-23-16)18(20,21)22)5-6-25(12)17(26)11-3-7-31(27,28)8-4-11/h5-6,13-14,16-18,20H,1-4,7-12,15H2;1-4,11-12,15,18H,5-10,13H2;2*1-2,9,11-12H,3-8,10H2
• InChIKey: HMLIATNQKMREBH-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 334.38 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1952.59
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone?

The IUPAC name of [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone (CID 158523018) is [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone is O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1ccc(Cl)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cc(C(F)(F)F)on2)CC1c1ccc(F)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C(F)(F)F)nc2)CC1c1ccc(F)cc1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C3CC3)cn2)CC1c1ccc(C2CC2)s1.

What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone?

The InChIKey is HMLIATNQKMREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S2.C21H22F4N4O3S.C18H19ClF3N3O4S2.C18H19F4N3O4S2/c29-24(18-7-11-33(30,31)12-8-18)28-10-9-27(23-14-25-19(13-26-23)16-1-2-16)15-20(28)22-6-5-21(32-22)17-3-4-17;22-16-3-1-14(2-4-16)18-13-28(17-11-26-20(27-12-17)21(23,24)25)7-8-29(18)19(30)15-5-9-33(31,32)10-6-15;2*19-15-2-1-13(30-15)12-10-24(16-9-14(29-23-16)18(20,21)22)5-6-25(12)17(26)11-3-7-31(27,28)8-4-11/h5-6,13-14,16-18,20H,1-4,7-12,15H2;1-4,11-12,15,18H,5-10,13H2;2*1-2,9,11-12H,3-8,10H2.

What are the key properties of [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone?

[2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone has a molecular weight of 1952.59 g/mol, XLogP of 13.09, 14 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-chlorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(5-cyclopropylpyrazin-2-yl)-2-(5-cyclopropylthiophen-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-fluorothiophen-2-yl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 158523018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).