sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate

C84H100ClN12NaO10S8 — CID 164976381

About sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate

sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate (PubChem CID 164976381) has the molecular formula C84H100ClN12NaO10S8 and a molecular weight of 1752.78 g/mol. Its IUPAC name is sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate.

Molecular Properties

• Compound Name: sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate
• PubChem CID: 164976381
• Molecular Formula: C84H100ClN12NaO10S8
• Molecular Weight: 1752.78 g/mol
• Exact Mass: 1750.50
• IUPAC Name: sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate
• SMILES: CC(=O)Nc1nc(C)c(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)s1.CCSc1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.CC[S-].CC[S@@](=O)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.CC[S@](=O)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.[Na+]
• InChI: InChI=1S/2C21H25N3O3S2.C21H25N3O2S2.C19H20ClN3O2S.C2H6S.Na/c2*1-5-29(27)17-9-15(19-11(2)22-21(28-19)23-13(4)25)8-16-10-24(20(26)18(16)17)12(3)14-6-7-14;1-5-27-17-9-15(19-11(2)22-21(28-19)23-13(4)25)8-16-10-24(20(26)18(16)17)12(3)14-6-7-14;1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13;1-2-3;/h2*8-9,12,14H,5-7,10H2,1-4H3,(H,22,23,25);8-9,12,14H,5-7,10H2,1-4H3,(H,22,23,25);6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24);3H,2H2,1H3;/q;;;;;+1/p-1/t12-,29+;12-,29-;12-;10-;;/m0000../s1
• InChIKey: DVOXIHVKFFSHKZ-KGWHBPIGSA-M
• XLogP: 14.90
• TPSA: 283.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.78
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate?

The IUPAC name of sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate (CID 164976381) is sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate.

What is the SMILES notation for sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate?

The canonical SMILES for sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate is CC(=O)Nc1nc(C)c(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)s1.CCSc1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.CC[S-].CC[S@@](=O)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.CC[S@](=O)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.[Na+].

What is the InChIKey of sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate?

The InChIKey is DVOXIHVKFFSHKZ-KGWHBPIGSA-M. The full InChI is InChI=1S/2C21H25N3O3S2.C21H25N3O2S2.C19H20ClN3O2S.C2H6S.Na/c2*1-5-29(27)17-9-15(19-11(2)22-21(28-19)23-13(4)25)8-16-10-24(20(26)18(16)17)12(3)14-6-7-14;1-5-27-17-9-15(19-11(2)22-21(28-19)23-13(4)25)8-16-10-24(20(26)18(16)17)12(3)14-6-7-14;1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13;1-2-3;/h2*8-9,12,14H,5-7,10H2,1-4H3,(H,22,23,25);8-9,12,14H,5-7,10H2,1-4H3,(H,22,23,25);6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24);3H,2H2,1H3;/q;;;;;+1/p-1/t12-,29+;12-,29-;12-;10-;;/m0000../s1.

What are the key properties of sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate?

sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate has a molecular weight of 1752.78 g/mol, XLogP of 14.90, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-ethylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;ethanethiolate is sourced from PubChem (CID 164976381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).