2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol

C19H26F2N4OS — CID 29209101

IUPAC2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol
SMILESCN(C)c1ncc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)s1
InChIInChI=1S/C19H26F2N4OS/c1-23(2)19-22-10-16(27-19)13-24-6-7-25(15(12-24)5-8-26)11-14-3-4-17(20)18(21)9-14/h3-4,9-10,15,26H,5-8,11-13H2,1-2H3/t15-/m0/s1
InChIKeyYMNWZSAGLHJSIE-HNNXBMFYSA-N
MW396.51 g/mol
LogP2.56
Rot. Bonds7

About 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol

2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 29209101) has the molecular formula C19H26F2N4OS and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol
PubChem CID29209101
Molecular FormulaC19H26F2N4OS
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol
SMILESCN(C)c1ncc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)s1
InChIInChI=1S/C19H26F2N4OS/c1-23(2)19-22-10-16(27-19)13-24-6-7-25(15(12-24)5-8-26)11-14-3-4-17(20)18(21)9-14/h3-4,9-10,15,26H,5-8,11-13H2,1-2H3/t15-/m0/s1
InChIKeyYMNWZSAGLHJSIE-HNNXBMFYSA-N
XLogP2.56
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28697227
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622355
2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45191599
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45217777
2-[(2R)-4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51636669
2-[(2R)-4-[(3,4-difluorophenyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98576280
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51903451
2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45208876
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 51892492
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29088990
2-[4-[(3,4-difluorophenyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45188212

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol (CID 29209101) is 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol is CN(C)c1ncc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)s1.
What is the InChIKey of 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol?
The InChIKey is YMNWZSAGLHJSIE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26F2N4OS/c1-23(2)19-22-10-16(27-19)13-24-6-7-25(15(12-24)5-8-26)11-14-3-4-17(20)18(21)9-14/h3-4,9-10,15,26H,5-8,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 396.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29209101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).