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

C16H21NO3S — CID 82424103

IUPAC2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCCOc1ccc(OCCc2ncc(C(C)(C)O)s2)cc1
InChIInChI=1S/C16H21NO3S/c1-4-19-12-5-7-13(8-6-12)20-10-9-15-17-11-14(21-15)16(2,3)18/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyUKGOMTGDOVDHHU-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.39
Rot. Bonds7

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

2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82424103) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82424103
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCCOc1ccc(OCCc2ncc(C(C)(C)O)s2)cc1
InChIInChI=1S/C16H21NO3S/c1-4-19-12-5-7-13(8-6-12)20-10-9-15-17-11-14(21-15)16(2,3)18/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyUKGOMTGDOVDHHU-UHFFFAOYSA-N
XLogP3.39
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82191090
2-[2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82191095
2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426889
2-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429708
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82425052
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191171
1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 114910713
1-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191088
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158
2-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82425139

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol (CID 82424103) is 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol is CCOc1ccc(OCCc2ncc(C(C)(C)O)s2)cc1.
What is the InChIKey of 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is UKGOMTGDOVDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-4-19-12-5-7-13(8-6-12)20-10-9-15-17-11-14(21-15)16(2,3)18/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 307.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82424103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).