2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

C19H22FN5OS — CID 120870745

IUPAC2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCn1ccnc1C1CNCCN1Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H22FN5OS/c1-24-8-7-22-19(24)17-10-21-6-9-25(17)11-15-13-27-18(23-15)12-26-16-4-2-14(20)3-5-16/h2-5,7-8,13,17,21H,6,9-12H2,1H3
InChIKeyVZGXUFOOPVGSFT-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.74
Rot. Bonds6

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

2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 120870745) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID120870745
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCn1ccnc1C1CNCCN1Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H22FN5OS/c1-24-8-7-22-19(24)17-10-21-6-9-25(17)11-15-13-27-18(23-15)12-26-16-4-2-14(20)3-5-16/h2-5,7-8,13,17,21H,6,9-12H2,1H3
InChIKeyVZGXUFOOPVGSFT-UHFFFAOYSA-N
XLogP2.74
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
2-[(4-fluorophenoxy)methyl]-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120754970
3-[(4-fluorophenoxy)methyl]-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120870962
2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870607
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870762
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 120870745) is 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is Cn1ccnc1C1CNCCN1Cc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is VZGXUFOOPVGSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-24-8-7-22-19(24)17-10-21-6-9-25(17)11-15-13-27-18(23-15)12-26-16-4-2-14(20)3-5-16/h2-5,7-8,13,17,21H,6,9-12H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 387.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 120870745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).