1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone

C23H26N4O2S — CID 53172882

IUPAC1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3ccc(-c4nc(C)c(C)s4)cn3)CC2)c1
InChIInChI=1S/C23H26N4O2S/c1-16-5-4-6-20(13-16)29-15-22(28)27-11-9-26(10-12-27)21-8-7-19(14-24-21)23-25-17(2)18(3)30-23/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyLNJHTHZWLRULIE-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.86
Rot. Bonds5

About 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone

1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 53172882) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID53172882
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3ccc(-c4nc(C)c(C)s4)cn3)CC2)c1
InChIInChI=1S/C23H26N4O2S/c1-16-5-4-6-20(13-16)29-15-22(28)27-11-9-26(10-12-27)21-8-7-19(14-24-21)23-25-17(2)18(3)30-23/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyLNJHTHZWLRULIE-UHFFFAOYSA-N
XLogP3.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone with MolForge

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Related Compounds

1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 122340259
2-(3-methylphenoxy)-1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 122333018
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 90491417
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 122339980
1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 90491330
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122335790

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone (CID 53172882) is 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCN(c3ccc(-c4nc(C)c(C)s4)cn3)CC2)c1.
What is the InChIKey of 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is LNJHTHZWLRULIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-5-4-6-20(13-16)29-15-22(28)27-11-9-26(10-12-27)21-8-7-19(14-24-21)23-25-17(2)18(3)30-23/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 422.55 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 53172882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).