(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

C18H18Cl2N4O2S2 — CID 55446847

IUPAC(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H18Cl2N4O2S2/c19-14-11-12(16(20)28-14)18(25)24-8-6-23(7-9-24)5-1-4-15-21-17(22-26-15)13-3-2-10-27-13/h2-3,10-11H,1,4-9H2
InChIKeyGAUUDPNQOXADSP-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.56
Rot. Bonds6

About (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (PubChem CID 55446847) has the molecular formula C18H18Cl2N4O2S2 and a molecular weight of 457.41 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
PubChem CID55446847
Molecular FormulaC18H18Cl2N4O2S2
Molecular Weight457.41 g/mol
Exact Mass456.02
IUPAC Name(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H18Cl2N4O2S2/c19-14-11-12(16(20)28-14)18(25)24-8-6-23(7-9-24)5-1-4-15-21-17(22-26-15)13-3-2-10-27-13/h2-3,10-11H,1,4-9H2
InChIKeyGAUUDPNQOXADSP-UHFFFAOYSA-N
XLogP4.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55511601
(4-methylsulfinylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78826694
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78835620
3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 78826700
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55740590
4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 112842093
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
CID 55446960
(3-propoxyphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55772807
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
2-(4-chlorophenoxy)-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propan-1-one
CID 55447010
[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55852247

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (CID 55446847) is (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is O=C(c1cc(Cl)sc1Cl)N1CCN(CCCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The InChIKey is GAUUDPNQOXADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2S2/c19-14-11-12(16(20)28-14)18(25)24-8-6-23(7-9-24)5-1-4-15-21-17(22-26-15)13-3-2-10-27-13/h2-3,10-11H,1,4-9H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone has a molecular weight of 457.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55446847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).