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

C20H28FN3OS — CID 30728417

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

2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 30728417) has the molecular formula C20H28FN3OS and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 30728417
• Molecular Formula: C20H28FN3OS
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.19
• IUPAC Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
• SMILES: CC(C)c1csc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)n1
• InChI: InChI=1S/C20H28FN3OS/c1-15(2)19-14-26-20(22-19)13-23-8-9-24(17(12-23)7-10-25)11-16-5-3-4-6-18(16)21/h3-6,14-15,17,25H,7-13H2,1-2H3/t17-/m0/s1
• InChIKey: WSZPBZPNJLVVTN-KRWDZBQOSA-N
• XLogP: 3.47
• TPSA: 39.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.53
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (CID 30728417) is 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is CC(C)c1csc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)n1.

What is the InChIKey of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?

The InChIKey is WSZPBZPNJLVVTN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28FN3OS/c1-15(2)19-14-26-20(22-19)13-23-8-9-24(17(12-23)7-10-25)11-16-5-3-4-6-18(16)21/h3-6,14-15,17,25H,7-13H2,1-2H3/t17-/m0/s1.

What are the key properties of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?

2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 377.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 30728417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).