N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide

C22H28N6O2S — CID 55850550

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
SMILESCc1nc(NC(=O)C(C)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)sc1C
InChIInChI=1S/C22H28N6O2S/c1-14-17(4)31-22(23-14)25-20(29)15(2)27-10-12-28(13-11-27)16(3)21-24-19(26-30-21)18-8-6-5-7-9-18/h5-9,15-16H,10-13H2,1-4H3,(H,23,25,29)
InChIKeyGPSAWUCENDWEMX-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.52
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide (PubChem CID 55850550) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
PubChem CID55850550
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
SMILESCc1nc(NC(=O)C(C)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)sc1C
InChIInChI=1S/C22H28N6O2S/c1-14-17(4)31-22(23-14)25-20(29)15(2)27-10-12-28(13-11-27)16(3)21-24-19(26-30-21)18-8-6-5-7-9-18/h5-9,15-16H,10-13H2,1-4H3,(H,23,25,29)
InChIKeyGPSAWUCENDWEMX-UHFFFAOYSA-N
XLogP3.52
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 34180167
4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide
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N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
CID 46482685
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 55682874
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450
N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94651886
(3-methylthiophen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065073
4-(methylamino)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119857105
N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
CID 55628129
2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide
CID 46446055

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide (CID 55850550) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide is Cc1nc(NC(=O)C(C)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide?
The InChIKey is GPSAWUCENDWEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-14-17(4)31-22(23-14)25-20(29)15(2)27-10-12-28(13-11-27)16(3)21-24-19(26-30-21)18-8-6-5-7-9-18/h5-9,15-16H,10-13H2,1-4H3,(H,23,25,29).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide has a molecular weight of 440.57 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55850550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).