4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole

C22H25N3OS — CID 157011589

IUPAC4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole
SMILESc1ccc(OCC(c2ccccc2)N2CCN(Cc3cnsc3)CC2)cc1
InChIInChI=1S/C22H25N3OS/c1-3-7-20(8-4-1)22(17-26-21-9-5-2-6-10-21)25-13-11-24(12-14-25)16-19-15-23-27-18-19/h1-10,15,18,22H,11-14,16-17H2
InChIKeyYIGUFZHQSWULNZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.08
Rot. Bonds7

About 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole

4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole (PubChem CID 157011589) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole.

Molecular Properties

Compound Name4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole
PubChem CID157011589
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole
SMILESc1ccc(OCC(c2ccccc2)N2CCN(Cc3cnsc3)CC2)cc1
InChIInChI=1S/C22H25N3OS/c1-3-7-20(8-4-1)22(17-26-21-9-5-2-6-10-21)25-13-11-24(12-14-25)16-19-15-23-27-18-19/h1-10,15,18,22H,11-14,16-17H2
InChIKeyYIGUFZHQSWULNZ-UHFFFAOYSA-N
XLogP4.08
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 166622197
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157015324
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014538

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole?
The IUPAC name of 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole (CID 157011589) is 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole.
What is the SMILES notation for 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole?
The canonical SMILES for 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole is c1ccc(OCC(c2ccccc2)N2CCN(Cc3cnsc3)CC2)cc1.
What is the InChIKey of 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole?
The InChIKey is YIGUFZHQSWULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-3-7-20(8-4-1)22(17-26-21-9-5-2-6-10-21)25-13-11-24(12-14-25)16-19-15-23-27-18-19/h1-10,15,18,22H,11-14,16-17H2.
What are the key properties of 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole?
4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole has a molecular weight of 379.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole is sourced from PubChem (CID 157011589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).