2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole

C21H25N3S — CID 143935507

IUPAC2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESc1ccc(CC(c2ccccc2)N2CCN(C3=NCCS3)CC2)cc1
InChIInChI=1S/C21H25N3S/c1-3-7-18(8-4-1)17-20(19-9-5-2-6-10-19)23-12-14-24(15-13-23)21-22-11-16-25-21/h1-10,20H,11-17H2
InChIKeyFNMMADPPULFREM-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.69
Rot. Bonds4

About 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole

2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 143935507) has the molecular formula C21H25N3S and a molecular weight of 351.52 g/mol. Its IUPAC name is 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID143935507
Molecular FormulaC21H25N3S
Molecular Weight351.52 g/mol
Exact Mass351.18
IUPAC Name2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESc1ccc(CC(c2ccccc2)N2CCN(C3=NCCS3)CC2)cc1
InChIInChI=1S/C21H25N3S/c1-3-7-18(8-4-1)17-20(19-9-5-2-6-10-19)23-12-14-24(15-13-23)21-22-11-16-25-21/h1-10,20H,11-17H2
InChIKeyFNMMADPPULFREM-UHFFFAOYSA-N
XLogP3.69
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine
CID 143935538
5-[(1R)-1,2-diphenylethyl]-1,3,5-triazinane-2-thione
CID 6934443
1,3-benzodioxol-5-yl-[4-[(1S)-1,2-diphenylethyl]piperazin-1-yl]methanone
CID 143935519
1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol
CID 174310926
N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
CID 54609342
1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylethyl]phenol;hydrate;dihydrochloride
CID 70600653
2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
CID 143935537
1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride
CID 132990928
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole (CID 143935507) is 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole is c1ccc(CC(c2ccccc2)N2CCN(C3=NCCS3)CC2)cc1.
What is the InChIKey of 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is FNMMADPPULFREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3S/c1-3-7-18(8-4-1)17-20(19-9-5-2-6-10-19)23-12-14-24(15-13-23)21-22-11-16-25-21/h1-10,20H,11-17H2.
What are the key properties of 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 351.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 143935507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).