2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

C23H25N3O2S — CID 72948129

IUPAC2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1-c1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H25N3O2S/c1-17-22(29-23(24-17)19-6-4-3-5-7-19)18-8-10-20(11-9-18)28-16-21(27)26-14-12-25(2)13-15-26/h3-11H,12-16H2,1-2H3
InChIKeyUHQIUNCQYNDWGG-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.94
Rot. Bonds5

About 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 72948129) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID72948129
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1-c1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H25N3O2S/c1-17-22(29-23(24-17)19-6-4-3-5-7-19)18-8-10-20(11-9-18)28-16-21(27)26-14-12-25(2)13-15-26/h3-11H,12-16H2,1-2H3
InChIKeyUHQIUNCQYNDWGG-UHFFFAOYSA-N
XLogP3.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 72947523
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
2-(4-fluorophenoxy)-1-[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 154872856
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 38828911
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 25238363
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702944
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
(E)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-3-phenylprop-2-en-1-one;hydrochloride
CID 155554404
1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 3965075

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (CID 72948129) is 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is Cc1nc(-c2ccccc2)sc1-c1ccc(OCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is UHQIUNCQYNDWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17-22(29-23(24-17)19-6-4-3-5-7-19)18-8-10-20(11-9-18)28-16-21(27)26-14-12-25(2)13-15-26/h3-11H,12-16H2,1-2H3.
What are the key properties of 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 407.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 72948129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).