[2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone

C60H72ClF6N13O7S6 — CID 158948368

About [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-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-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 158948368) has the molecular formula C60H72ClF6N13O7S6 and a molecular weight of 1429.16 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-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-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
• PubChem CID: 158948368
• Molecular Formula: C60H72ClF6N13O7S6
• Molecular Weight: 1429.16 g/mol
• Exact Mass: 1427.36
• IUPAC Name: [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
• SMILES: C=S1(=O)CCC(C(=O)N2CCN(c3cnc(C4CC4)nc3)CC2c2cccc(F)c2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2c2ncc(C)s2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3noc(C(F)F)n3)CC2c2ccc(Cl)s2)CC1
• InChI: InChI=1S/C24H29FN4O2S.C18H21ClF2N4O3S2.C18H22F3N5O2S3/c1-32(31)11-7-18(8-12-32)24(30)29-10-9-28(16-22(29)19-3-2-4-20(25)13-19)21-14-26-23(27-15-21)17-5-6-17;1-30(27)8-4-11(5-9-30)17(26)25-7-6-24(18-22-16(15(20)21)28-23-18)10-12(25)13-2-3-14(19)29-13;1-11-9-22-14(29-11)13-10-25(17-24-23-16(30-17)18(19,20)21)5-6-26(13)15(27)12-3-7-31(2,28)8-4-12/h2-4,13-15,17-18,22H,1,5-12,16H2;2-3,11-12,15H,1,4-10H2;9,12-13H,2-8,10H2,1H3
• InChIKey: JLCOOWDICNCHDW-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 225.23 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.16
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

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-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-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-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (CID 158948368) is [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-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-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-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-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is C=S1(=O)CCC(C(=O)N2CCN(c3cnc(C4CC4)nc3)CC2c2cccc(F)c2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2c2ncc(C)s2)CC1.C=S1(=O)CCC(C(=O)N2CCN(c3noc(C(F)F)n3)CC2c2ccc(Cl)s2)CC1.

What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?

The InChIKey is JLCOOWDICNCHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2S.C18H21ClF2N4O3S2.C18H22F3N5O2S3/c1-32(31)11-7-18(8-12-32)24(30)29-10-9-28(16-22(29)19-3-2-4-20(25)13-19)21-14-26-23(27-15-21)17-5-6-17;1-30(27)8-4-11(5-9-30)17(26)25-7-6-24(18-22-16(15(20)21)28-23-18)10-12(25)13-2-3-14(19)29-13;1-11-9-22-14(29-11)13-10-25(17-24-23-16(30-17)18(19,20)21)5-6-26(13)15(27)12-3-7-31(2,28)8-4-12/h2-4,13-15,17-18,22H,1,5-12,16H2;2-3,11-12,15H,1,4-10H2;9,12-13H,2-8,10H2,1H3.

What are the key properties of [2-(5-chlorothiophen-2-yl)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(1-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-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-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 1429.16 g/mol, XLogP of 9.09, 11 rotatable bonds, 0 hydrogen bond donors, and 20 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-methylidene-1-oxothian-4-yl)methanone;[4-(2-cyclopropylpyrimidin-5-yl)-2-(3-fluorophenyl)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)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 158948368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).