[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol

C17H23NO2S — CID 82438725

IUPAC[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(OCc2nc(C(C)(C)C)c(CO)s2)c(C)c1
InChIInChI=1S/C17H23NO2S/c1-11-6-7-13(12(2)8-11)20-10-15-18-16(17(3,4)5)14(9-19)21-15/h6-8,19H,9-10H2,1-5H3
InChIKeyTYEPXBUEVMSDBC-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.13
Rot. Bonds4

About [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82438725) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
PubChem CID82438725
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(OCc2nc(C(C)(C)C)c(CO)s2)c(C)c1
InChIInChI=1S/C17H23NO2S/c1-11-6-7-13(12(2)8-11)20-10-15-18-16(17(3,4)5)14(9-19)21-15/h6-8,19H,9-10H2,1-5H3
InChIKeyTYEPXBUEVMSDBC-UHFFFAOYSA-N
XLogP4.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82438695
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82428952
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82428956
[2-[2-(2,4-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441066
N-[[2-[(2,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193598
2-[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82438699
[4-tert-butyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82439229
[4-(methoxymethyl)-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82441109
3-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82422936
[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82438761
[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 39099853
[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
CID 80692917

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol (CID 82438725) is [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol is Cc1ccc(OCc2nc(C(C)(C)C)c(CO)s2)c(C)c1.
What is the InChIKey of [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is TYEPXBUEVMSDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-11-6-7-13(12(2)8-11)20-10-15-18-16(17(3,4)5)14(9-19)21-15/h6-8,19H,9-10H2,1-5H3.
What are the key properties of [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 305.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82438725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).