2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole

C24H27N3S — CID 22199821

IUPAC2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccccc1-c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)cs1
InChIInChI=1S/C24H27N3S/c1-20-8-5-6-12-23(20)24-25-22(19-28-24)18-27-16-14-26(15-17-27)13-7-11-21-9-3-2-4-10-21/h2-12,19H,13-18H2,1H3/b11-7+
InChIKeyUZJAXLKAHOSXHZ-YRNVUSSQSA-N
MW389.57 g/mol
LogP4.95
Rot. Bonds6

About 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole

2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 22199821) has the molecular formula C24H27N3S and a molecular weight of 389.57 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID22199821
Molecular FormulaC24H27N3S
Molecular Weight389.57 g/mol
Exact Mass389.19
IUPAC Name2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccccc1-c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)cs1
InChIInChI=1S/C24H27N3S/c1-20-8-5-6-12-23(20)24-25-22(19-28-24)18-27-16-14-26(15-17-27)13-7-11-21-9-3-2-4-10-21/h2-12,19H,13-18H2,1H3/b11-7+
InChIKeyUZJAXLKAHOSXHZ-YRNVUSSQSA-N
XLogP4.95
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 56665694
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
2-(1,3-benzodioxol-5-yl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199826
4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22194703
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22195952
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-4-ol
CID 176506461
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]naphthalen-1-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68694569
1-[[3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methoxyphenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91079939
2-methylsulfanyl-6-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 74227141

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole (CID 22199821) is 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole is Cc1ccccc1-c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)cs1.
What is the InChIKey of 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UZJAXLKAHOSXHZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H27N3S/c1-20-8-5-6-12-23(20)24-25-22(19-28-24)18-27-16-14-26(15-17-27)13-7-11-21-9-3-2-4-10-21/h2-12,19H,13-18H2,1H3/b11-7+.
What are the key properties of 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole?
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 389.57 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 22199821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).