[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone

C20H21ClN6O2S — CID 97012470

IUPAC[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(NC2CC2)n1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C20H21ClN6O2S/c21-14-3-1-13(2-4-14)18-24-17(29-25-18)11-26-7-9-27(10-8-26)19(28)16-12-30-20(23-16)22-15-5-6-15/h1-4,12,15H,5-11H2,(H,22,23)
InChIKeyBVDVIEMBPYULPA-UHFFFAOYSA-N
MW444.95 g/mol
LogP3.38
Rot. Bonds6

About [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone

[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 97012470) has the molecular formula C20H21ClN6O2S and a molecular weight of 444.95 g/mol. Its IUPAC name is [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
PubChem CID97012470
Molecular FormulaC20H21ClN6O2S
Molecular Weight444.95 g/mol
Exact Mass444.11
IUPAC Name[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(NC2CC2)n1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C20H21ClN6O2S/c21-14-3-1-13(2-4-14)18-24-17(29-25-18)11-26-7-9-27(10-8-26)19(28)16-12-30-20(23-16)22-15-5-6-15/h1-4,12,15H,5-11H2,(H,22,23)
InChIKeyBVDVIEMBPYULPA-UHFFFAOYSA-N
XLogP3.38
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.95
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 47881666
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 134051754
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 78857886
(1-aminocyclopropyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839913
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703500
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 24614336
3-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 34526668
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39585952
3-(4-chlorophenoxy)-1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 55704457
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 37083852
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-cyclohexylethanone
CID 53148666
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 39586413

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone (CID 97012470) is [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone is O=C(c1csc(NC2CC2)n1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is BVDVIEMBPYULPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2S/c21-14-3-1-13(2-4-14)18-24-17(29-25-18)11-26-7-9-27(10-8-26)19(28)16-12-30-20(23-16)22-15-5-6-15/h1-4,12,15H,5-11H2,(H,22,23).
What are the key properties of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone?
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 444.95 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 97012470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).