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

C18H24FN3OS — CID 45182970

IUPAC2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ncc(CN2CCN(Cc3ccccc3F)C(CCO)C2)s1
InChIInChI=1S/C18H24FN3OS/c1-14-20-10-17(24-14)13-21-7-8-22(16(12-21)6-9-23)11-15-4-2-3-5-18(15)19/h2-5,10,16,23H,6-9,11-13H2,1H3
InChIKeyWWPBZVPUPAYBSB-UHFFFAOYSA-N
MW349.47 g/mol
LogP2.66
Rot. Bonds6

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

2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45182970) has the molecular formula C18H24FN3OS and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45182970
Molecular FormulaC18H24FN3OS
Molecular Weight349.47 g/mol
Exact Mass349.16
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ncc(CN2CCN(Cc3ccccc3F)C(CCO)C2)s1
InChIInChI=1S/C18H24FN3OS/c1-14-20-10-17(24-14)13-21-7-8-22(16(12-21)6-9-23)11-15-4-2-3-5-18(15)19/h2-5,10,16,23H,6-9,11-13H2,1H3
InChIKeyWWPBZVPUPAYBSB-UHFFFAOYSA-N
XLogP2.66
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 45182970) is 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol is Cc1ncc(CN2CCN(Cc3ccccc3F)C(CCO)C2)s1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is WWPBZVPUPAYBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3OS/c1-14-20-10-17(24-14)13-21-7-8-22(16(12-21)6-9-23)11-15-4-2-3-5-18(15)19/h2-5,10,16,23H,6-9,11-13H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 349.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45182970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).