[2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol

C15H19NO2S — CID 82154523

IUPAC[2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol
SMILESCc1cc(C)c(OCCc2nc(CO)cs2)c(C)c1
InChIInChI=1S/C15H19NO2S/c1-10-6-11(2)15(12(3)7-10)18-5-4-14-16-13(8-17)9-19-14/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyTUBLXUZXRVHZHA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.18
Rot. Bonds5

About [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol

[2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol (PubChem CID 82154523) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol
PubChem CID82154523
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name[2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol
SMILESCc1cc(C)c(OCCc2nc(CO)cs2)c(C)c1
InChIInChI=1S/C15H19NO2S/c1-10-6-11(2)15(12(3)7-10)18-5-4-14-16-13(8-17)9-19-14/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyTUBLXUZXRVHZHA-UHFFFAOYSA-N
XLogP3.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154469
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
2-[2-[2-(2,4,5-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82154399
N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193907
3,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61487704
2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbothioamide
CID 82516384
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82090307
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154477
[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
CID 116889050

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol (CID 82154523) is [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol is Cc1cc(C)c(OCCc2nc(CO)cs2)c(C)c1.
What is the InChIKey of [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is TUBLXUZXRVHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-6-11(2)15(12(3)7-10)18-5-4-14-16-13(8-17)9-19-14/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol?
[2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 277.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 82154523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).