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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Related Compounds

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110883261
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
(1R)-1-(3-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanol
CID 95582295
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
(1R)-1-(4-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 7189249
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072
1-(4-fluorophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanol
CID 110883568
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77058053

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).