2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol

C21H30FN3OS — CID 23723905

IUPAC2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1CCO
InChIInChI=1S/C21H30FN3OS/c1-21(2,3)15-25-10-9-24(12-18(25)8-11-26)13-20-23-19(14-27-20)16-4-6-17(22)7-5-16/h4-7,14,18,26H,8-13,15H2,1-3H3
InChIKeyGOUYUKOYEGKQEP-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.86
Rot. Bonds6

About 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol

2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 23723905) has the molecular formula C21H30FN3OS and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol
PubChem CID23723905
Molecular FormulaC21H30FN3OS
Molecular Weight391.56 g/mol
Exact Mass391.21
IUPAC Name2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1CCO
InChIInChI=1S/C21H30FN3OS/c1-21(2,3)15-25-10-9-24(12-18(25)8-11-26)13-20-23-19(14-27-20)16-4-6-17(22)7-5-16/h4-7,14,18,26H,8-13,15H2,1-3H3
InChIKeyGOUYUKOYEGKQEP-UHFFFAOYSA-N
XLogP3.86
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol (CID 23723905) is 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol is CC(C)(C)CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1CCO.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol?
The InChIKey is GOUYUKOYEGKQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3OS/c1-21(2,3)15-25-10-9-24(12-18(25)8-11-26)13-20-23-19(14-27-20)16-4-6-17(22)7-5-16/h4-7,14,18,26H,8-13,15H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol?
2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 391.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).