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

C16H22FN3OS — CID 111858419

IUPAC1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESCC1CN=C(N2CCN(CC(O)c3ccccc3F)CC2)S1
InChIInChI=1S/C16H22FN3OS/c1-12-10-18-16(22-12)20-8-6-19(7-9-20)11-15(21)13-4-2-3-5-14(13)17/h2-5,12,15,21H,6-11H2,1H3
InChIKeyJEJGQQQPIWIPFE-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.97
Rot. Bonds3

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

1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol (PubChem CID 111858419) has the molecular formula C16H22FN3OS and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
PubChem CID111858419
Molecular FormulaC16H22FN3OS
Molecular Weight323.44 g/mol
Exact Mass323.15
IUPAC Name1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESCC1CN=C(N2CCN(CC(O)c3ccccc3F)CC2)S1
InChIInChI=1S/C16H22FN3OS/c1-12-10-18-16(22-12)20-8-6-19(7-9-20)11-15(21)13-4-2-3-5-14(13)17/h2-5,12,15,21H,6-11H2,1H3
InChIKeyJEJGQQQPIWIPFE-UHFFFAOYSA-N
XLogP1.97
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
CID 111858425
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 96558635
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110889743
(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
CID 34187761
(2S)-1-[(2R)-4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778972
2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 111421571

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol (CID 111858419) is 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol is CC1CN=C(N2CCN(CC(O)c3ccccc3F)CC2)S1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The InChIKey is JEJGQQQPIWIPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3OS/c1-12-10-18-16(22-12)20-8-6-19(7-9-20)11-15(21)13-4-2-3-5-14(13)17/h2-5,12,15,21H,6-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol has a molecular weight of 323.44 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 111858419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).