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

IUPACtert-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
SMILESCC(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]
InChIInChI=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
InChIKeyIWDNJMXDLGTIJL-UHFFFAOYSA-N
MW1380.86 g/mol
LogP13.83
Rot. Bonds15

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 Nametert-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 CID158823372
Molecular FormulaC68H89N11O10S5
Molecular Weight1380.86 g/mol
Exact Mass1379.54
IUPAC Nametert-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
SMILESCC(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]
InChIInChI=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
InChIKeyIWDNJMXDLGTIJL-UHFFFAOYSA-N
XLogP13.83
TPSA230.90 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.86
LogP ≤ 513.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

Benzyl 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-methoxyethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-methylpropyl 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;molecular hydrogen
CID 157570820
4-(3,4-Difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-fluoro-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 158437400
4-(3,4-Difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-fluoro-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 159322680
4-(3,4-Difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-fluoro-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 161607603

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).