[(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol

C23H26ClN3OS — CID 71814498

IUPAC[(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C23H26ClN3OS/c24-19-8-6-18(7-9-19)22-16-29-23(26-22)25-20-10-4-17(5-11-20)12-14-27-13-2-1-3-21(27)15-28/h4-11,16,21,28H,1-3,12-15H2,(H,25,26)/t21-/m1/s1
InChIKeyVRGFDZRHFXOHFN-OAQYLSRUSA-N
MW428.00 g/mol
LogP5.60
Rot. Bonds7

About [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol

[(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol (PubChem CID 71814498) has the molecular formula C23H26ClN3OS and a molecular weight of 428.00 g/mol. Its IUPAC name is [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol
PubChem CID71814498
Molecular FormulaC23H26ClN3OS
Molecular Weight428.00 g/mol
Exact Mass427.15
IUPAC Name[(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C23H26ClN3OS/c24-19-8-6-18(7-9-19)22-16-29-23(26-22)25-20-10-4-17(5-11-20)12-14-27-13-2-1-3-21(27)15-28/h4-11,16,21,28H,1-3,12-15H2,(H,25,26)/t21-/m1/s1
InChIKeyVRGFDZRHFXOHFN-OAQYLSRUSA-N
XLogP5.60
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.00
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

Amgen-23
CID 71627420
1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-4-phenylpiperazine
CID 1241189
(2R,4S)-2-(Hydroxymethyl)-1-(4-((4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)amino)phenethyl)piperidin-4-ol
CID 56929818
(2R,4S)-1-[2-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
CID 71812415
(2R,4S)-1-[2-[4-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
CID 71812416
(2R,4S)-1-[2-[4-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
CID 71812417
(2R,4S)-1-[2-[4-[[4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
CID 71812418
[1-[2-[4-[(4-Naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol
CID 71813506
[(2R)-1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol
CID 71813673
(3R,5R)-1-[2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 71813832
(3R,5R)-1-[3-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 71813975
(3S,5R)-1-[2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 71813976

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol (CID 71814498) is [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol?
The InChIKey is VRGFDZRHFXOHFN-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26ClN3OS/c24-19-8-6-18(7-9-19)22-16-29-23(26-22)25-20-10-4-17(5-11-20)12-14-27-13-2-1-3-21(27)15-28/h4-11,16,21,28H,1-3,12-15H2,(H,25,26)/t21-/m1/s1.
What are the key properties of [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol?
[(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol has a molecular weight of 428.00 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 71814498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).