Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol

C₆₈H₈₉N₁₁O₁₀S₅ — CID 158823372

About Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol

Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol (PubChem CID 158823372) has the molecular formula C₆₈H₈₉N₁₁O₁₀S₅ and a molecular weight of 1380.86 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol.

Molecular Properties

• Compound Name: Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
• PubChem CID: 158823372
• Molecular Formula: C₆₈H₈₉N₁₁O₁₀S₅
• Molecular Weight: 1380.86 g/mol
• Exact Mass: 1379.54
• IUPAC Name: tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
• SMILES: CC(C)COC(=O)N1CCN(c2nc(-c3ccccc3O)cs2)CC1.CCCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3O)cs2)CC1.COc1ccccc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1.Oc1ccccc1-c1csc(N2CCCCC2)n1.[H][H]
• InChI: InChI=1S/C19H25N3O3S.C18H23N3O3S.C17H23N3O3S2.C14H16N2OS.H2/c1-19(2,3)25-18(23)22-11-9-21(10-12-22)17-20-15(13-26-17)14-7-5-6-8-16(14)24-4;1-13(2)11-24-18(23)21-9-7-20(8-10-21)17-19-15(12-25-17)14-5-3-4-6-16(14)22;1-2-3-12-25(22,23)20-10-8-19(9-11-20)17-18-15(13-24-17)14-6-4-5-7-16(14)21;17-13-7-3-2-6-11(13)12-10-18-14(15-12)16-8-4-1-5-9-16;/h5-8,13H,9-12H2,1-4H3;3-6,12-13,22H,7-11H2,1-2H3;4-7,13,21H,2-3,8-12H2,1H3;2-3,6-7,10,17H,1,4-5,8-9H2;1H
• InChIKey: IWDNJMXDLGTIJL-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 230.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.86
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol?

The IUPAC name of Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol (CID 158823372) is tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol.

What is the SMILES notation for Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol?

The canonical SMILES for Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol is CC(C)COC(=O)N1CCN(c2nc(-c3ccccc3O)cs2)CC1.CCCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3O)cs2)CC1.COc1ccccc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1.Oc1ccccc1-c1csc(N2CCCCC2)n1.[H][H].

What is the InChIKey of Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol?

The InChIKey is IWDNJMXDLGTIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.C18H23N3O3S.C17H23N3O3S2.C14H16N2OS.H2/c1-19(2,3)25-18(23)22-11-9-21(10-12-22)17-20-15(13-26-17)14-7-5-6-8-16(14)24-4;1-13(2)11-24-18(23)21-9-7-20(8-10-21)17-19-15(12-25-17)14-5-3-4-6-16(14)22;1-2-3-12-25(22,23)20-10-8-19(9-11-20)17-18-15(13-24-17)14-6-4-5-7-16(14)21;17-13-7-3-2-6-11(13)12-10-18-14(15-12)16-8-4-1-5-9-16;/h5-8,13H,9-12H2,1-4H3;3-6,12-13,22H,7-11H2,1-2H3;4-7,13,21H,2-3,8-12H2,1H3;2-3,6-7,10,17H,1,4-5,8-9H2;1H.

What are the key properties of Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol?

Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol has a molecular weight of 1380.86 g/mol, XLogP of 13.83, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[2-(4-butylsulfonylpiperazin-1-yl)-1,3-thiazol-4-yl]phenol;2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen;2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 158823372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158823372 — identifiers, structure, computed properties (public domain)

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