2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole

C21H23N3O2S — CID 1482772

IUPAC2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1
InChIInChI=1S/C21H23N3O2S/c1-25-18-7-9-19(10-8-18)26-21-22-15-20(27-21)16-23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3
InChIKeyLRSXOQZHZBWFGI-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole

2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 1482772) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID1482772
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1
InChIInChI=1S/C21H23N3O2S/c1-25-18-7-9-19(10-8-18)26-21-22-15-20(27-21)16-23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3
InChIKeyLRSXOQZHZBWFGI-UHFFFAOYSA-N
XLogP4.27
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole (CID 1482772) is 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole is COc1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is LRSXOQZHZBWFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-25-18-7-9-19(10-8-18)26-21-22-15-20(27-21)16-23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 381.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 1482772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).