[2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone

C76H88ClF9N18O13S8 — CID 159546982

About [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone

[2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 159546982) has the molecular formula C76H88ClF9N18O13S8 and a molecular weight of 1924.62 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
• PubChem CID: 159546982
• Molecular Formula: C76H88ClF9N18O13S8
• Molecular Weight: 1924.62 g/mol
• Exact Mass: 1922.41
• IUPAC Name: [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
• SMILES: Cc1cnc(C2CN(c3cnc(C(F)(F)F)cn3)CCN2C(=O)C2CCS(=O)(=O)CC2)s1.Cc1cnc(C2CN(c3nnc(C(F)(F)F)s3)CCN2C(=O)C2CCS(=O)(=O)CC2)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C3CC3)nc2)CC1c1cccc(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2noc(C(F)F)n2)CC1c1ccc(Cl)s1
• InChI: InChI=1S/C23H27FN4O3S.C19H22F3N5O3S2.C17H19ClF2N4O4S2.C17H20F3N5O3S3/c24-19-3-1-2-18(12-19)21-15-27(20-13-25-22(26-14-20)16-4-5-16)8-9-28(21)23(29)17-6-10-32(30,31)11-7-17;1-12-8-25-17(31-12)14-11-26(16-10-23-15(9-24-16)19(20,21)22)4-5-27(14)18(28)13-2-6-32(29,30)7-3-13;18-13-2-1-12(29-13)11-9-23(17-21-15(14(19)20)28-22-17)5-6-24(11)16(25)10-3-7-30(26,27)8-4-10;1-10-8-21-13(29-10)12-9-24(16-23-22-15(30-16)17(18,19)20)4-5-25(12)14(26)11-2-6-31(27,28)7-3-11/h1-3,12-14,16-17,21H,4-11,15H2;8-10,13-14H,2-7,11H2,1H3;1-2,10-11,14H,3-9H2;8,11-12H,2-7,9H2,1H3
• InChIKey: MEXQIHAADPAHAE-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 372.80 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.62
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?

The IUPAC name of [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (CID 159546982) is [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?

The canonical SMILES for [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is Cc1cnc(C2CN(c3cnc(C(F)(F)F)cn3)CCN2C(=O)C2CCS(=O)(=O)CC2)s1.Cc1cnc(C2CN(c3nnc(C(F)(F)F)s3)CCN2C(=O)C2CCS(=O)(=O)CC2)s1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cnc(C3CC3)nc2)CC1c1cccc(F)c1.O=C(C1CCS(=O)(=O)CC1)N1CCN(c2noc(C(F)F)n2)CC1c1ccc(Cl)s1.

What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?

The InChIKey is MEXQIHAADPAHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S.C19H22F3N5O3S2.C17H19ClF2N4O4S2.C17H20F3N5O3S3/c24-19-3-1-2-18(12-19)21-15-27(20-13-25-22(26-14-20)16-4-5-16)8-9-28(21)23(29)17-6-10-32(30,31)11-7-17;1-12-8-25-17(31-12)14-11-26(16-10-23-15(9-24-16)19(20,21)22)4-5-27(14)18(28)13-2-6-32(29,30)7-3-13;18-13-2-1-12(29-13)11-9-23(17-21-15(14(19)20)28-22-17)5-6-24(11)16(25)10-3-7-30(26,27)8-4-10;1-10-8-21-13(29-10)12-9-24(16-23-22-15(30-16)17(18,19)20)4-5-25(12)14(26)11-2-6-31(27,28)7-3-11/h1-3,12-14,16-17,21H,4-11,15H2;8-10,13-14H,2-7,11H2,1H3;1-2,10-11,14H,3-9H2;8,11-12H,2-7,9H2,1H3.

What are the key properties of [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?

[2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 1924.62 g/mol, XLogP of 10.66, 14 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 159546982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).