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

C23H26FN3O3S — CID 110220769

IUPAC[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
SMILESCOc1cc(CN2CCN(c3c(F)cccc3C(O)c3nccs3)CC2)cc(OC)c1
InChIInChI=1S/C23H26FN3O3S/c1-29-17-12-16(13-18(14-17)30-2)15-26-7-9-27(10-8-26)21-19(4-3-5-20(21)24)22(28)23-25-6-11-31-23/h3-6,11-14,22,28H,7-10,15H2,1-2H3
InChIKeyLAUKUHSEOFXSLO-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.70
Rot. Bonds7

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

[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol (PubChem CID 110220769) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
PubChem CID110220769
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
SMILESCOc1cc(CN2CCN(c3c(F)cccc3C(O)c3nccs3)CC2)cc(OC)c1
InChIInChI=1S/C23H26FN3O3S/c1-29-17-12-16(13-18(14-17)30-2)15-26-7-9-27(10-8-26)21-19(4-3-5-20(21)24)22(28)23-25-6-11-31-23/h3-6,11-14,22,28H,7-10,15H2,1-2H3
InChIKeyLAUKUHSEOFXSLO-UHFFFAOYSA-N
XLogP3.70
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 92593823
[3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
CID 110220819
[2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 110220734
(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 92567317
4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 46953574
[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 110245059
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
(S)-[3-fluoro-2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 95801488
(S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 92562841
(S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 95801570
[2-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220784
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 133403794

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol (CID 110220769) is [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol is COc1cc(CN2CCN(c3c(F)cccc3C(O)c3nccs3)CC2)cc(OC)c1.
What is the InChIKey of [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is LAUKUHSEOFXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-29-17-12-16(13-18(14-17)30-2)15-26-7-9-27(10-8-26)21-19(4-3-5-20(21)24)22(28)23-25-6-11-31-23/h3-6,11-14,22,28H,7-10,15H2,1-2H3.
What are the key properties of [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol?
[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 443.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 110220769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).