(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol

C17H22FN3OS — CID 95352568

IUPAC(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2csc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C17H22FN3OS/c1-13(22)10-20-6-8-21(9-7-20)11-14-12-23-17(19-14)15-4-2-3-5-16(15)18/h2-5,12-13,22H,6-11H2,1H3/t13-/m0/s1
InChIKeyALUDBJLOSOYNPQ-ZDUSSCGKSA-N
MW335.45 g/mol
LogP2.45
Rot. Bonds5

About (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol

(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95352568) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
PubChem CID95352568
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2csc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C17H22FN3OS/c1-13(22)10-20-6-8-21(9-7-20)11-14-12-23-17(19-14)15-4-2-3-5-16(15)18/h2-5,12-13,22H,6-11H2,1H3/t13-/m0/s1
InChIKeyALUDBJLOSOYNPQ-ZDUSSCGKSA-N
XLogP2.45
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56826401
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22195952
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95351952
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966903
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95610792
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
CID 80703333
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol (CID 95352568) is (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(Cc2csc(-c3ccccc3F)n2)CC1.
What is the InChIKey of (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is ALUDBJLOSOYNPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-13(22)10-20-6-8-21(9-7-20)11-14-12-23-17(19-14)15-4-2-3-5-16(15)18/h2-5,12-13,22H,6-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 335.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95352568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).