4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol

C12H13NO2S — CID 61484157

IUPAC4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
SMILESCCc1nc(COc2ccc(O)cc2)cs1
InChIInChI=1S/C12H13NO2S/c1-2-12-13-9(8-16-12)7-15-11-5-3-10(14)4-6-11/h3-6,8,14H,2,7H2,1H3
InChIKeyIMRCQNJFNPZQIO-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.99
Rot. Bonds4

About 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol

4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol (PubChem CID 61484157) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
PubChem CID61484157
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
SMILESCCc1nc(COc2ccc(O)cc2)cs1
InChIInChI=1S/C12H13NO2S/c1-2-12-13-9(8-16-12)7-15-11-5-3-10(14)4-6-11/h3-6,8,14H,2,7H2,1H3
InChIKeyIMRCQNJFNPZQIO-UHFFFAOYSA-N
XLogP2.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
CID 55136719
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
CID 47077529
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
2-ethyl-4-(quinolin-3-yloxymethyl)-1,3-thiazole
CID 102846975
N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
CID 47077563
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol?
The IUPAC name of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol (CID 61484157) is 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol.
What is the SMILES notation for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol?
The canonical SMILES for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol is CCc1nc(COc2ccc(O)cc2)cs1.
What is the InChIKey of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol?
The InChIKey is IMRCQNJFNPZQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-2-12-13-9(8-16-12)7-15-11-5-3-10(14)4-6-11/h3-6,8,14H,2,7H2,1H3.
What are the key properties of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol?
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol has a molecular weight of 235.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol is sourced from PubChem (CID 61484157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).