4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine

C93H106ClF2N20O16S8- — CID 159327961

About 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine

4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine (PubChem CID 159327961) has the molecular formula C93H106ClF2N20O16S8- and a molecular weight of 2089.98 g/mol. Its IUPAC name is 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine
• PubChem CID: 159327961
• Molecular Formula: C93H106ClF2N20O16S8-
• Molecular Weight: 2089.98 g/mol
• Exact Mass: 2087.55
• IUPAC Name: 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine
• SMILES: COc1cc(F)ccc1C1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CCN1C(=O)CCn1ccc2cccc(Cl)c21.N#Cc1cccc2c1ccn2CC(=O)N1CCN(c2ccc(S(=O)[O-])cc2)C(=O)C1.Nc1nccs1.O=C(Nc1cccc(F)c1)O[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H27FN4O4S2.C24H25ClN6O3S2.C21H18N4O4S.C20H17FN4O5S2.C3H4N2S.8H2/c1-34-23-16-18(26)2-7-21(23)17-8-12-29(13-9-17)22-10-14-30(24(22)31)19-3-5-20(6-4-19)36(32,33)28-25-27-11-15-35-25;1-17-15-30(19-5-7-20(8-6-19)36(33,34)28-24-26-16-27-35-24)13-14-31(17)22(32)10-12-29-11-9-18-3-2-4-21(25)23(18)29;22-12-15-2-1-3-19-18(15)8-9-23(19)13-20(26)24-10-11-25(21(27)14-24)16-4-6-17(7-5-16)30(28)29;21-13-2-1-3-14(12-13)23-20(27)30-17-8-10-25(18(17)26)15-4-6-16(7-5-15)32(28,29)24-19-22-9-11-31-19;4-3-5-1-2-6-3;;;;;;;;/h2-7,11,15-17,22H,8-10,12-14H2,1H3,(H,27,28);2-9,11,16-17H,10,12-15H2,1H3,(H,26,27,28);1-9H,10-11,13-14H2,(H,28,29);1-7,9,11-12,17H,8,10H2,(H,22,24)(H,23,27);1-2H,(H2,4,5);8*1H/p-1/t22-;17-;;17-;;;;;;;;;/m01.0........./s1
• InChIKey: AGWGFGTUHGNPTI-VPEKTXGVSA-M
• XLogP: 15.91
• TPSA: 458.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.98
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine?

The IUPAC name of 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine (CID 159327961) is 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine.

What is the SMILES notation for 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine?

The canonical SMILES for 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine is COc1cc(F)ccc1C1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CCN1C(=O)CCn1ccc2cccc(Cl)c21.N#Cc1cccc2c1ccn2CC(=O)N1CCN(c2ccc(S(=O)[O-])cc2)C(=O)C1.Nc1nccs1.O=C(Nc1cccc(F)c1)O[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine?

The InChIKey is AGWGFGTUHGNPTI-VPEKTXGVSA-M. The full InChI is InChI=1S/C25H27FN4O4S2.C24H25ClN6O3S2.C21H18N4O4S.C20H17FN4O5S2.C3H4N2S.8H2/c1-34-23-16-18(26)2-7-21(23)17-8-12-29(13-9-17)22-10-14-30(24(22)31)19-3-5-20(6-4-19)36(32,33)28-25-27-11-15-35-25;1-17-15-30(19-5-7-20(8-6-19)36(33,34)28-24-26-16-27-35-24)13-14-31(17)22(32)10-12-29-11-9-18-3-2-4-21(25)23(18)29;22-12-15-2-1-3-19-18(15)8-9-23(19)13-20(26)24-10-11-25(21(27)14-24)16-4-6-17(7-5-16)30(28)29;21-13-2-1-3-14(12-13)23-20(27)30-17-8-10-25(18(17)26)15-4-6-16(7-5-15)32(28,29)24-19-22-9-11-31-19;4-3-5-1-2-6-3;;;;;;;;/h2-7,11,15-17,22H,8-10,12-14H2,1H3,(H,27,28);2-9,11,16-17H,10,12-15H2,1H3,(H,26,27,28);1-9H,10-11,13-14H2,(H,28,29);1-7,9,11-12,17H,8,10H2,(H,22,24)(H,23,27);1-2H,(H2,4,5);8*1H/p-1/t22-;17-;;17-;;;;;;;;;/m01.0........./s1.

What are the key properties of 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine?

4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine has a molecular weight of 2089.98 g/mol, XLogP of 15.91, 24 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(4-cyanoindol-1-yl)acetyl]-2-oxopiperazin-1-yl]benzenesulfinate;4-[(3S)-3-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-fluorophenyl)carbamate;1,3-thiazol-2-amine is sourced from PubChem (CID 159327961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).