N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide

C90H97F9N30O12S12 — CID 158326027

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide (PubChem CID 158326027) has the molecular formula C90H97F9N30O12S12 and a molecular weight of 2346.75 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide.

Molecular Properties

• Compound Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide
• PubChem CID: 158326027
• Molecular Formula: C90H97F9N30O12S12
• Molecular Weight: 2346.75 g/mol
• Exact Mass: 2344.44
• IUPAC Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide
• SMILES: CC(=O)NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ncnc4cc(C(F)(F)F)ccc34)CC2)cc1.CC(=O)NS(=O)(=O)c1ccc(Nc2ncnc3cc(C(F)(F)F)ccc23)cc1.CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3CCN(C)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3CCNCC3)cc2)s1
• InChI: InChI=1S/C22H21F3N6O3S2.C20H21F3N8O2S3.C17H13F3N4O3S.C16H22N6O2S3.C15H20N6O2S3/c1-14(32)29-36(33,34)17-5-3-16(4-6-17)28-21(35)31-10-8-30(9-11-31)20-18-7-2-15(22(23,24)25)12-19(18)26-13-27-20;1-2-17-27-28-18(35-17)29-36(32,33)14-5-3-13(4-6-14)26-19(34)31-9-7-30(8-10-31)16-11-15(20(21,22)23)24-12-25-16;1-10(25)24-28(26,27)13-5-3-12(4-6-13)23-16-14-7-2-11(17(18,19)20)8-15(14)21-9-22-16;1-3-14-18-19-15(26-14)20-27(23,24)13-6-4-12(5-7-13)17-16(25)22-10-8-21(2)9-11-22;1-2-13-18-19-14(25-13)20-26(22,23)12-5-3-11(4-6-12)17-15(24)21-9-7-16-8-10-21/h2-7,12-13H,8-11H2,1H3,(H,28,35)(H,29,32);3-6,11-12H,2,7-10H2,1H3,(H,26,34)(H,28,29);2-9H,1H3,(H,24,25)(H,21,22,23);4-7H,3,8-11H2,1-2H3,(H,17,25)(H,19,20);3-6,16H,2,7-10H2,1H3,(H,17,24)(H,19,20)
• InChIKey: GPKLQZUVUKOZCN-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 514.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.75
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide?

The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide (CID 158326027) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide.

What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide?

The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ncnc4cc(C(F)(F)F)ccc34)CC2)cc1.CC(=O)NS(=O)(=O)c1ccc(Nc2ncnc3cc(C(F)(F)F)ccc23)cc1.CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3CCN(C)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3CCNCC3)cc2)s1.

What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide?

The InChIKey is GPKLQZUVUKOZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O3S2.C20H21F3N8O2S3.C17H13F3N4O3S.C16H22N6O2S3.C15H20N6O2S3/c1-14(32)29-36(33,34)17-5-3-16(4-6-17)28-21(35)31-10-8-30(9-11-31)20-18-7-2-15(22(23,24)25)12-19(18)26-13-27-20;1-2-17-27-28-18(35-17)29-36(32,33)14-5-3-13(4-6-14)26-19(34)31-9-7-30(8-10-31)16-11-15(20(21,22)23)24-12-25-16;1-10(25)24-28(26,27)13-5-3-12(4-6-13)23-16-14-7-2-11(17(18,19)20)8-15(14)21-9-22-16;1-3-14-18-19-15(26-14)20-27(23,24)13-6-4-12(5-7-13)17-16(25)22-10-8-21(2)9-11-22;1-2-13-18-19-14(25-13)20-26(22,23)12-5-3-11(4-6-12)17-15(24)21-9-7-16-8-10-21/h2-7,12-13H,8-11H2,1H3,(H,28,35)(H,29,32);3-6,11-12H,2,7-10H2,1H3,(H,26,34)(H,28,29);2-9H,1H3,(H,24,25)(H,21,22,23);4-7H,3,8-11H2,1-2H3,(H,17,25)(H,19,20);3-6,16H,2,7-10H2,1H3,(H,17,24)(H,19,20).

What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide?

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide has a molecular weight of 2346.75 g/mol, XLogP of 12.79, 24 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-methylpiperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]piperazine-1-carbothioamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbothioamide;N-[4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]sulfonylacetamide;N-[4-[[4-[7-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carbothioyl]amino]phenyl]sulfonylacetamide is sourced from PubChem (CID 158326027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).