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

C15H18FNO2S — CID 82426889

IUPAC2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(CCOc2ccc(F)cc2)sc1C(C)(C)O
InChIInChI=1S/C15H18FNO2S/c1-10-14(15(2,3)18)20-13(17-10)8-9-19-12-6-4-11(16)5-7-12/h4-7,18H,8-9H2,1-3H3
InChIKeyVDQUVHZBIBJIRK-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.44
Rot. Bonds5

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

2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82426889) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82426889
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(CCOc2ccc(F)cc2)sc1C(C)(C)O
InChIInChI=1S/C15H18FNO2S/c1-10-14(15(2,3)18)20-13(17-10)8-9-19-12-6-4-11(16)5-7-12/h4-7,18H,8-9H2,1-3H3
InChIKeyVDQUVHZBIBJIRK-UHFFFAOYSA-N
XLogP3.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426840
2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154144
2-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429708
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427117
3-[2-[3-(4-fluorophenoxy)propyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82154428
(E)-3-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82426892
2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424103
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760645
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158
[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434838
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426540

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol (CID 82426889) is 2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol is Cc1nc(CCOc2ccc(F)cc2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is VDQUVHZBIBJIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-10-14(15(2,3)18)20-13(17-10)8-9-19-12-6-4-11(16)5-7-12/h4-7,18H,8-9H2,1-3H3.
What are the key properties of 2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 3.44, 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-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82426889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).