[3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol

C14H16FN3OS — CID 106529651

IUPAC[3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
SMILESOCc1cc(F)cc(N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C14H16FN3OS/c15-12-7-11(10-19)8-13(9-12)17-2-4-18(5-3-17)14-16-1-6-20-14/h1,6-9,19H,2-5,10H2
InChIKeyCBGBLRBJIWPRNI-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.10
Rot. Bonds3

About [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol

[3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol (PubChem CID 106529651) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
PubChem CID106529651
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name[3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
SMILESOCc1cc(F)cc(N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C14H16FN3OS/c15-12-7-11(10-19)8-13(9-12)17-2-4-18(5-3-17)14-16-1-6-20-14/h1,6-9,19H,2-5,10H2
InChIKeyCBGBLRBJIWPRNI-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

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Related Compounds

[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
CID 43121061
(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol
CID 106529680
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]methanol
CID 106529644
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
CID 106836470
N'-[(3-bromo-5-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111076982
N'-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111025747
[3-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]methanol
CID 106529884
1-(3-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 62052707
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
N'-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111035438
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
CID 134001056

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol (CID 106529651) is [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol is OCc1cc(F)cc(N2CCN(c3nccs3)CC2)c1.
What is the InChIKey of [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol?
The InChIKey is CBGBLRBJIWPRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-12-7-11(10-19)8-13(9-12)17-2-4-18(5-3-17)14-16-1-6-20-14/h1,6-9,19H,2-5,10H2.
What are the key properties of [3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol?
[3-fluoro-5-[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-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol is sourced from PubChem (CID 106529651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).