5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole

C15H23N5OS — CID 133476421

IUPAC5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
SMILESCC(c1nccs1)N1CCN(c2noc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H23N5OS/c1-11(12-16-5-10-22-12)19-6-8-20(9-7-19)14-17-13(21-18-14)15(2,3)4/h5,10-11H,6-9H2,1-4H3
InChIKeyJIOYZSUPQIRYHY-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.71
Rot. Bonds3

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

5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole (PubChem CID 133476421) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
PubChem CID133476421
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
SMILESCC(c1nccs1)N1CCN(c2noc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H23N5OS/c1-11(12-16-5-10-22-12)19-6-8-20(9-7-19)14-17-13(21-18-14)15(2,3)4/h5,10-11H,6-9H2,1-4H3
InChIKeyJIOYZSUPQIRYHY-UHFFFAOYSA-N
XLogP2.71
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476665
2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476366
2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476438
4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
CID 133476730
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476612
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133476331
2-[1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476450
2-[1-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476539
2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476702
2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476564
2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476729

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole (CID 133476421) is 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole is CC(c1nccs1)N1CCN(c2noc(C(C)(C)C)n2)CC1.
What is the InChIKey of 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is JIOYZSUPQIRYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-11(12-16-5-10-22-12)19-6-8-20(9-7-19)14-17-13(21-18-14)15(2,3)4/h5,10-11H,6-9H2,1-4H3.
What are the key properties of 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole?
5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 321.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133476421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).