2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol

C15H19NOS — CID 116889795

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1nc(O)cs1
InChIInChI=1S/C15H19NOS/c1-9-6-11(15(3,4)5)7-10(2)13(9)14-16-12(17)8-18-14/h6-8,17H,1-5H3
InChIKeyCNLPPDPPUJFWRC-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.43
Rot. Bonds1

About 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol

2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol (PubChem CID 116889795) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol
PubChem CID116889795
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1nc(O)cs1
InChIInChI=1S/C15H19NOS/c1-9-6-11(15(3,4)5)7-10(2)13(9)14-16-12(17)8-18-14/h6-8,17H,1-5H3
InChIKeyCNLPPDPPUJFWRC-UHFFFAOYSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol
CID 116889763
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 83158896
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-ol
CID 130501515
5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868950
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889146
2-phenyl-1,3-thiazol-4-ol
CID 568728
2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole
CID 116892310
2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527032
2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol
CID 137224845

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol (CID 116889795) is 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol is Cc1cc(C(C)(C)C)cc(C)c1-c1nc(O)cs1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol?
The InChIKey is CNLPPDPPUJFWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-9-6-11(15(3,4)5)7-10(2)13(9)14-16-12(17)8-18-14/h6-8,17H,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol?
2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol has a molecular weight of 261.39 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).