4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol

C22H32N2O2S — CID 25222459

IUPAC4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(-c2csc(C3(N)CCOCC3)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H32N2O2S/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)17-13-27-19(24-17)22(23)7-9-26-10-8-22/h11-13,25H,7-10,23H2,1-6H3
InChIKeyJYLAYFCWPZLYBS-UHFFFAOYSA-N
MW388.58 g/mol
LogP5.08
Rot. Bonds2

About 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol

4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol (PubChem CID 25222459) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
PubChem CID25222459
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Name4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(-c2csc(C3(N)CCOCC3)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H32N2O2S/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)17-13-27-19(24-17)22(23)7-9-26-10-8-22/h11-13,25H,7-10,23H2,1-6H3
InChIKeyJYLAYFCWPZLYBS-UHFFFAOYSA-N
XLogP5.08
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol 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

2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol
CID 25221007
4-[2-(4-aminothian-4-yl)-1,3-thiazol-4-yl]-2-tert-butyl-6-prop-1-en-2-ylphenol
CID 88970753
2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
CID 2742347
4-[2-(aziridin-1-ylmethyl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
CID 11256444
2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol
CID 10215951
2,6-ditert-butyl-4-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]phenol;hydrochloride
CID 87312495
2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol
CID 139972664
4-(3-amino-1H-1,2,4-triazol-5-yl)-2,6-ditert-butylphenol
CID 135492399
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 134081875
2,6-ditert-butyl-4-[2-(propylaminomethyl)-1,3-thiazol-4-yl]phenol;hydrochloride
CID 87312849
1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558286
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol (CID 25222459) is 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol is CC(C)(C)c1cc(-c2csc(C3(N)CCOCC3)n2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol?
The InChIKey is JYLAYFCWPZLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)17-13-27-19(24-17)22(23)7-9-26-10-8-22/h11-13,25H,7-10,23H2,1-6H3.
What are the key properties of 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol?
4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol has a molecular weight of 388.58 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol is sourced from PubChem (CID 25222459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).