2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone

C24H25N5O3S — CID 55616168

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)Cc4csc(-c5ccc(C)o5)n4)CC3)n2)cc1
InChIInChI=1S/C24H25N5O3S/c1-16-3-6-18(7-4-16)23-26-21(32-27-23)14-28-9-11-29(12-10-28)22(30)13-19-15-33-24(25-19)20-8-5-17(2)31-20/h3-8,15H,9-14H2,1-2H3
InChIKeyKWYXKXFAWYEGFD-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.96
Rot. Bonds6

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 55616168) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID55616168
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)Cc4csc(-c5ccc(C)o5)n4)CC3)n2)cc1
InChIInChI=1S/C24H25N5O3S/c1-16-3-6-18(7-4-16)23-26-21(32-27-23)14-28-9-11-29(12-10-28)22(30)13-19-15-33-24(25-19)20-8-5-17(2)31-20/h3-8,15H,9-14H2,1-2H3
InChIKeyKWYXKXFAWYEGFD-UHFFFAOYSA-N
XLogP3.96
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55652012
2-amino-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119840001
3-(4-methylphenyl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 16625869
1-(4-aminopiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119375215
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 134042328
1-(4-methoxypiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 56811934
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 30461958
2-(2,4-dimethoxyphenyl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 25491608
1-(2,5-dimethylthiophen-3-yl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butane-1,4-dione
CID 24611555
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 55791253
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976
1-[4-(methylaminomethyl)piperidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119545183

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone (CID 55616168) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone is Cc1ccc(-c2noc(CN3CCN(C(=O)Cc4csc(-c5ccc(C)o5)n4)CC3)n2)cc1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is KWYXKXFAWYEGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-16-3-6-18(7-4-16)23-26-21(32-27-23)14-28-9-11-29(12-10-28)22(30)13-19-15-33-24(25-19)20-8-5-17(2)31-20/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 463.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55616168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).