4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine

C89H87Cl2F6N16O16S8- — CID 161333875

About 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine

4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine (PubChem CID 161333875) has the molecular formula C89H87Cl2F6N16O16S8- and a molecular weight of 2078.20 g/mol. Its IUPAC name is 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine
• PubChem CID: 161333875
• Molecular Formula: C89H87Cl2F6N16O16S8-
• Molecular Weight: 2078.20 g/mol
• Exact Mass: 2075.35
• IUPAC Name: 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine
• SMILES: CC(C)c1ccc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1.Nc1nccs1.O=C(Cn1ccc2ccc(Cl)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C(Cn1ccc2cccc(Cl)c21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C1C(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1c1ccc(S(=O)[O-])cc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C23H20ClN5O4S2.C22H23N3O4S2.C18H13F6NO4S.C3H4N2S.4H2/c24-17-2-1-16-7-9-27(20(16)13-17)14-21(30)28-10-11-29(22(31)15-28)18-3-5-19(6-4-18)35(32,33)26-23-25-8-12-34-23;24-19-3-1-2-16-8-10-28(22(16)19)14-20(30)27-11-12-29(21(31)15-27)17-4-6-18(7-5-17)35(32,33)26-23-25-9-13-34-23;1-15(2)16-3-7-18(8-4-16)29-20-11-13-25(21(20)26)17-5-9-19(10-6-17)31(27,28)24-22-23-12-14-30-22;19-17(20,21)10-7-11(18(22,23)24)9-13(8-10)29-15-5-6-25(16(15)26)12-1-3-14(4-2-12)30(27)28;4-3-5-1-2-6-3;;;;/h1-9,12-13H,10-11,14-15H2,(H,25,26);1-10,13H,11-12,14-15H2,(H,25,26);3-10,12,14-15,20H,11,13H2,1-2H3,(H,23,24);1-4,7-9,15H,5-6H2,(H,27,28);1-2H,(H2,4,5);4*1H/p-1
• InChIKey: CSIGBMHHKLKDBV-UHFFFAOYSA-M
• XLogP: 16.96
• TPSA: 406.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.20
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine?

The IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine (CID 161333875) is 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine.

What is the SMILES notation for 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine?

The canonical SMILES for 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine is CC(C)c1ccc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1.Nc1nccs1.O=C(Cn1ccc2ccc(Cl)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C(Cn1ccc2cccc(Cl)c21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C1C(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1c1ccc(S(=O)[O-])cc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine?

The InChIKey is CSIGBMHHKLKDBV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H20ClN5O4S2.C22H23N3O4S2.C18H13F6NO4S.C3H4N2S.4H2/c24-17-2-1-16-7-9-27(20(16)13-17)14-21(30)28-10-11-29(22(31)15-28)18-3-5-19(6-4-18)35(32,33)26-23-25-8-12-34-23;24-19-3-1-2-16-8-10-28(22(16)19)14-20(30)27-11-12-29(21(31)15-27)17-4-6-18(7-5-17)35(32,33)26-23-25-9-13-34-23;1-15(2)16-3-7-18(8-4-16)29-20-11-13-25(21(20)26)17-5-9-19(10-6-17)31(27,28)24-22-23-12-14-30-22;19-17(20,21)10-7-11(18(22,23)24)9-13(8-10)29-15-5-6-25(16(15)26)12-1-3-14(4-2-12)30(27)28;4-3-5-1-2-6-3;;;;/h1-9,12-13H,10-11,14-15H2,(H,25,26);1-10,13H,11-12,14-15H2,(H,25,26);3-10,12,14-15,20H,11,13H2,1-2H3,(H,23,24);1-4,7-9,15H,5-6H2,(H,27,28);1-2H,(H2,4,5);4*1H/p-1.

What are the key properties of 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine?

4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine has a molecular weight of 2078.20 g/mol, XLogP of 16.96, 23 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3,5-bis(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[2-(6-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;1,3-thiazol-2-amine is sourced from PubChem (CID 161333875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).