[5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol

C15H19NO3S — CID 136572672

IUPAC[5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol
SMILESCCCOCCOc1cccc(-c2scnc2CO)c1
InChIInChI=1S/C15H19NO3S/c1-2-6-18-7-8-19-13-5-3-4-12(9-13)15-14(10-17)16-11-20-15/h3-5,9,11,17H,2,6-8,10H2,1H3
InChIKeyNOKWGDIOWQESQK-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.11
Rot. Bonds8

About [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol

[5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol (PubChem CID 136572672) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol
PubChem CID136572672
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name[5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol
SMILESCCCOCCOc1cccc(-c2scnc2CO)c1
InChIInChI=1S/C15H19NO3S/c1-2-6-18-7-8-19-13-5-3-4-12(9-13)15-14(10-17)16-11-20-15/h3-5,9,11,17H,2,6-8,10H2,1H3
InChIKeyNOKWGDIOWQESQK-UHFFFAOYSA-N
XLogP3.11
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
4-bromo-5-(3-methoxyphenyl)-1,3-thiazole
CID 66520687
4-[3-(2-propoxyethoxy)phenyl]but-3-yn-1-ol
CID 54974912
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
3-methyl-5-(3-propoxyphenyl)pyridine
CID 143608383

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol (CID 136572672) is [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol is CCCOCCOc1cccc(-c2scnc2CO)c1.
What is the InChIKey of [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is NOKWGDIOWQESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-2-6-18-7-8-19-13-5-3-4-12(9-13)15-14(10-17)16-11-20-15/h3-5,9,11,17H,2,6-8,10H2,1H3.
What are the key properties of [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol?
[5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 293.39 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-propoxyethoxy)phenyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 136572672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).