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

C22H25N3OS — CID 22199471

IUPAC4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
SMILESCOc1cccc(N2CCN(Cc3csc(-c4ccc(C)cc4)n3)CC2)c1
InChIInChI=1S/C22H25N3OS/c1-17-6-8-18(9-7-17)22-23-19(16-27-22)15-24-10-12-25(13-11-24)20-4-3-5-21(14-20)26-2/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyYFBZVUCKDWZMIN-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.45
Rot. Bonds5

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

4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 22199471) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
PubChem CID22199471
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
SMILESCOc1cccc(N2CCN(Cc3csc(-c4ccc(C)cc4)n3)CC2)c1
InChIInChI=1S/C22H25N3OS/c1-17-6-8-18(9-7-17)22-23-19(16-27-22)15-24-10-12-25(13-11-24)20-4-3-5-21(14-20)26-2/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyYFBZVUCKDWZMIN-UHFFFAOYSA-N
XLogP4.45
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
2-(4-chlorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
CID 8592232
2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 33458433
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22198420
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132380
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole (CID 22199471) is 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole is COc1cccc(N2CCN(Cc3csc(-c4ccc(C)cc4)n3)CC2)c1.
What is the InChIKey of 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is YFBZVUCKDWZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-17-6-8-18(9-7-17)22-23-19(16-27-22)15-24-10-12-25(13-11-24)20-4-3-5-21(14-20)26-2/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole?
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 379.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 22199471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).