2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol

C18H25NOS — CID 2742347

IUPAC2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
SMILESCc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1
InChIInChI=1S/C18H25NOS/c1-11-19-15(10-21-11)12-8-13(17(2,3)4)16(20)14(9-12)18(5,6)7/h8-10,20H,1-7H3
InChIKeyUGKQQIVBLCDMJC-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.42
Rot. Bonds1

About 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol

2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol (PubChem CID 2742347) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
PubChem CID2742347
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
SMILESCc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1
InChIInChI=1S/C18H25NOS/c1-11-19-15(10-21-11)12-8-13(17(2,3)4)16(20)14(9-12)18(5,6)7/h8-10,20H,1-7H3
InChIKeyUGKQQIVBLCDMJC-UHFFFAOYSA-N
XLogP5.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-[2-(propylaminomethyl)-1,3-thiazol-4-yl]phenol;hydrochloride
CID 87312849
4-[2-(aziridin-1-ylmethyl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
CID 11256444
4-(3-amino-1H-1,2,4-triazol-5-yl)-2,6-ditert-butylphenol
CID 135492399
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-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
CID 25222459
2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol
CID 10215951
ethyl 2-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 87751263
2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol
CID 25221007
ethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 137146915
2,6-ditert-butyl-4-[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol bromide
CID 21179316
4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 3767969

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol (CID 2742347) is 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol is Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1.
What is the InChIKey of 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol?
The InChIKey is UGKQQIVBLCDMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-11-19-15(10-21-11)12-8-13(17(2,3)4)16(20)14(9-12)18(5,6)7/h8-10,20H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol?
2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol has a molecular weight of 303.47 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 2742347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).