2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole

C20H21N3OS — CID 1477904

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C20H21N3OS/c1-24-18-9-7-17(8-10-18)22-11-13-23(14-12-22)20-21-19(15-25-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyJDSKHFIPNSRAEG-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.15
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole (PubChem CID 1477904) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
PubChem CID1477904
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C20H21N3OS/c1-24-18-9-7-17(8-10-18)22-11-13-23(14-12-22)20-21-19(15-25-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyJDSKHFIPNSRAEG-UHFFFAOYSA-N
XLogP4.15
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
CID 3223640
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
CID 163418785
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-pyridin-4-yl-1,3-thiazole
CID 25191882
N-(2,4-dimethoxyphenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 4999497
4-(4-methoxyphenyl)-2-[4-[(5E)-5-(1-phenylethylidene)thiolan-2-yl]piperazin-1-yl]-1,3-thiazole
CID 155053638
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
CID 141146332
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carbonitrile
CID 68904389
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole (CID 1477904) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole is COc1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole?
The InChIKey is JDSKHFIPNSRAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-24-18-9-7-17(8-10-18)22-11-13-23(14-12-22)20-21-19(15-25-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole has a molecular weight of 351.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 1477904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).