3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole

C15H13Cl2N5OS — CID 133333464

IUPAC3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole
SMILESClc1cc(Cl)cc(-c2noc(N3CCN(c4nccs4)CC3)n2)c1
InChIInChI=1S/C15H13Cl2N5OS/c16-11-7-10(8-12(17)9-11)13-19-14(23-20-13)21-2-4-22(5-3-21)15-18-1-6-24-15/h1,6-9H,2-5H2
InChIKeyRURLJEADWQRRSD-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.83
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole

3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole (PubChem CID 133333464) has the molecular formula C15H13Cl2N5OS and a molecular weight of 382.28 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole
PubChem CID133333464
Molecular FormulaC15H13Cl2N5OS
Molecular Weight382.28 g/mol
Exact Mass381.02
IUPAC Name3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole
SMILESClc1cc(Cl)cc(-c2noc(N3CCN(c4nccs4)CC3)n2)c1
InChIInChI=1S/C15H13Cl2N5OS/c16-11-7-10(8-12(17)9-11)13-19-14(23-20-13)21-2-4-22(5-3-21)15-18-1-6-24-15/h1,6-9H,2-5H2
InChIKeyRURLJEADWQRRSD-UHFFFAOYSA-N
XLogP3.83
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 133350736
1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 133351608
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide
CID 133351214
4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 83151968
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide
CID 133351602
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
3-(3,5-dichlorophenyl)-5-[2-[(2-methyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole
CID 146853047
3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51312105
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine
CID 133351370
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
3-(3-chlorophenyl)-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133282480

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole (CID 133333464) is 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole is Clc1cc(Cl)cc(-c2noc(N3CCN(c4nccs4)CC3)n2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is RURLJEADWQRRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5OS/c16-11-7-10(8-12(17)9-11)13-19-14(23-20-13)21-2-4-22(5-3-21)15-18-1-6-24-15/h1,6-9H,2-5H2.
What are the key properties of 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole?
3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 382.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133333464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).