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

C17H15NO2S — CID 2747349

IUPAC2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
SMILESCOc1ccccc1OCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H15NO2S/c1-19-15-9-5-6-10-16(15)20-11-17-18-14(12-21-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyXUJNPMFTVQIGNY-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.40
Rot. Bonds5

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

2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole (PubChem CID 2747349) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
PubChem CID2747349
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
SMILESCOc1ccccc1OCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H15NO2S/c1-19-15-9-5-6-10-16(15)20-11-17-18-14(12-21-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyXUJNPMFTVQIGNY-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 110393578
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
methyl (4-phenyl-1,3-thiazol-2-yl)methanesulfonate
CID 175209134
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde
CID 87822274
N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576710
1-[3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57384082
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860
4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole
CID 79832018
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263481

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole (CID 2747349) is 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole is COc1ccccc1OCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole?
The InChIKey is XUJNPMFTVQIGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-19-15-9-5-6-10-16(15)20-11-17-18-14(12-21-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole?
2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole has a molecular weight of 297.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 2747349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).