5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine

C18H22N4OS — CID 23010425

IUPAC5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C18H22N4OS/c1-10(2)13-14(24-17(19)20-13)16-21-15(22-23-16)11-6-8-12(9-7-11)18(3,4)5/h6-10H,1-5H3,(H2,19,20)
InChIKeyHEZMDOKBXCOYSF-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.86
Rot. Bonds3

About 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine

5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 23010425) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID23010425
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C18H22N4OS/c1-10(2)13-14(24-17(19)20-13)16-21-15(22-23-16)11-6-8-12(9-7-11)18(3,4)5/h6-10H,1-5H3,(H2,19,20)
InChIKeyHEZMDOKBXCOYSF-UHFFFAOYSA-N
XLogP4.86
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 23010425) is 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is HEZMDOKBXCOYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-10(2)13-14(24-17(19)20-13)16-21-15(22-23-16)11-6-8-12(9-7-11)18(3,4)5/h6-10H,1-5H3,(H2,19,20).
What are the key properties of 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 342.47 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 23010425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).