4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole

C23H25F2N3O2S — CID 112798687

IUPAC4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESCOc1ccc(F)cc1CN1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H25F2N3O2S/c1-29-22-7-4-19(25)12-17(22)13-27-8-10-28(11-9-27)14-20-16-31-23(26-20)15-30-21-5-2-18(24)3-6-21/h2-7,12,16H,8-11,13-15H2,1H3
InChIKeyLNABIGBISLWPAN-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.33
Rot. Bonds8

About 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole

4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 112798687) has the molecular formula C23H25F2N3O2S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID112798687
Molecular FormulaC23H25F2N3O2S
Molecular Weight445.54 g/mol
Exact Mass445.16
IUPAC Name4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESCOc1ccc(F)cc1CN1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H25F2N3O2S/c1-29-22-7-4-19(25)12-17(22)13-27-8-10-28(11-9-27)14-20-16-31-23(26-20)15-30-21-5-2-18(24)3-6-21/h2-7,12,16H,8-11,13-15H2,1H3
InChIKeyLNABIGBISLWPAN-UHFFFAOYSA-N
XLogP4.33
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole with MolForge

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Related Compounds

(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55477220
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82020434
2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82018941
3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 8972159
[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55420458
4-[3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propoxy]benzonitrile
CID 112839730
1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909032
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 43054324
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
CID 112802116
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (CID 112798687) is 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is COc1ccc(F)cc1CN1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1.
What is the InChIKey of 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is LNABIGBISLWPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2S/c1-29-22-7-4-19(25)12-17(22)13-27-8-10-28(11-9-27)14-20-16-31-23(26-20)15-30-21-5-2-18(24)3-6-21/h2-7,12,16H,8-11,13-15H2,1H3.
What are the key properties of 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 445.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 112798687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).