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

C17H22FN3OS — CID 109378461

IUPAC2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESCc1nc(N2CCN(CC(O)c3ccc(F)cc3)CC2)sc1C
InChIInChI=1S/C17H22FN3OS/c1-12-13(2)23-17(19-12)21-9-7-20(8-10-21)11-16(22)14-3-5-15(18)6-4-14/h3-6,16,22H,7-11H2,1-2H3
InChIKeyUTRZKBBZBZQHRH-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.75
Rot. Bonds4

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

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 109378461) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
PubChem CID109378461
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESCc1nc(N2CCN(CC(O)c3ccc(F)cc3)CC2)sc1C
InChIInChI=1S/C17H22FN3OS/c1-12-13(2)23-17(19-12)21-9-7-20(8-10-21)11-16(22)14-3-5-15(18)6-4-14/h3-6,16,22H,7-11H2,1-2H3
InChIKeyUTRZKBBZBZQHRH-UHFFFAOYSA-N
XLogP2.75
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol (CID 109378461) is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol is Cc1nc(N2CCN(CC(O)c3ccc(F)cc3)CC2)sc1C.
What is the InChIKey of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is UTRZKBBZBZQHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-12-13(2)23-17(19-12)21-9-7-20(8-10-21)11-16(22)14-3-5-15(18)6-4-14/h3-6,16,22H,7-11H2,1-2H3.
What are the key properties of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 335.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 109378461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).