[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol

C14H16FN3OS — CID 43121061

IUPAC[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CCN(c3nccs3)CC2)c(F)c1
InChIInChI=1S/C14H16FN3OS/c15-12-9-11(10-19)1-2-13(12)17-4-6-18(7-5-17)14-16-3-8-20-14/h1-3,8-9,19H,4-7,10H2
InChIKeyFEIIYWSWAIORFF-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.10
Rot. Bonds3

About [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol

[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol (PubChem CID 43121061) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
PubChem CID43121061
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CCN(c3nccs3)CC2)c(F)c1
InChIInChI=1S/C14H16FN3OS/c15-12-9-11(10-19)1-2-13(12)17-4-6-18(7-5-17)14-16-3-8-20-14/h1-3,8-9,19H,4-7,10H2
InChIKeyFEIIYWSWAIORFF-UHFFFAOYSA-N
XLogP2.10
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111068354
[3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
CID 106529651
1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 43110460
2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol
CID 43592205
[3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol
CID 62966483
[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
CID 28945751
N'-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111080084
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
CID 43133225
2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline
CID 60783049
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111817122
[2-bromo-3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
CID 107532169

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol (CID 43121061) is [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol is OCc1ccc(N2CCN(c3nccs3)CC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol?
The InChIKey is FEIIYWSWAIORFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-12-9-11(10-19)1-2-13(12)17-4-6-18(7-5-17)14-16-3-8-20-14/h1-3,8-9,19H,4-7,10H2.
What are the key properties of [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol?
[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol has a molecular weight of 293.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol is sourced from PubChem (CID 43121061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).