2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol

C17H23NO2S — CID 82426840

IUPAC2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1cccc(C)c1OCCc1nc(C)c(C(C)(C)O)s1
InChIInChI=1S/C17H23NO2S/c1-11-7-6-8-12(2)15(11)20-10-9-14-18-13(3)16(21-14)17(4,5)19/h6-8,19H,9-10H2,1-5H3
InChIKeyGICKXHRBAASLHX-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.92
Rot. Bonds5

About 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol

2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82426840) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82426840
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1cccc(C)c1OCCc1nc(C)c(C(C)(C)O)s1
InChIInChI=1S/C17H23NO2S/c1-11-7-6-8-12(2)15(11)20-10-9-14-18-13(3)16(21-14)17(4,5)19/h6-8,19H,9-10H2,1-5H3
InChIKeyGICKXHRBAASLHX-UHFFFAOYSA-N
XLogP3.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426889
[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82423935
[2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441072
2-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429708
2-[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82423770
2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carbonitrile
CID 82441073
2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbothioamide
CID 82516384
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426540
N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423927
[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154469
1-[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 94284215
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol (CID 82426840) is 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol is Cc1cccc(C)c1OCCc1nc(C)c(C(C)(C)O)s1.
What is the InChIKey of 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is GICKXHRBAASLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-11-7-6-8-12(2)15(11)20-10-9-14-18-13(3)16(21-14)17(4,5)19/h6-8,19H,9-10H2,1-5H3.
What are the key properties of 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82426840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).