2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole

C17H15NO2S — CID 23042161

IUPAC2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole
SMILESCc1nc(COc2ccccc2Oc2ccccc2)cs1
InChIInChI=1S/C17H15NO2S/c1-13-18-14(12-21-13)11-19-16-9-5-6-10-17(16)20-15-7-3-2-4-8-15/h2-10,12H,11H2,1H3
InChIKeySACGTFUSDZLCGZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.82
Rot. Bonds5

About 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole

2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole (PubChem CID 23042161) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole
PubChem CID23042161
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole
SMILESCc1nc(COc2ccccc2Oc2ccccc2)cs1
InChIInChI=1S/C17H15NO2S/c1-13-18-14(12-21-13)11-19-16-9-5-6-10-17(16)20-15-7-3-2-4-8-15/h2-10,12H,11H2,1H3
InChIKeySACGTFUSDZLCGZ-UHFFFAOYSA-N
XLogP4.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline
CID 60688412
4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole
CID 141124782
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79158538
4-[[4-[(2S,3R)-4-[3,4-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2,3-dimethylbutyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]-2-methyl-1,3-thiazole
CID 59159875
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
CID 24641781
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
CID 24646797
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole (CID 23042161) is 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole is Cc1nc(COc2ccccc2Oc2ccccc2)cs1.
What is the InChIKey of 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole?
The InChIKey is SACGTFUSDZLCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-13-18-14(12-21-13)11-19-16-9-5-6-10-17(16)20-15-7-3-2-4-8-15/h2-10,12H,11H2,1H3.
What are the key properties of 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole?
2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole has a molecular weight of 297.38 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 23042161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).