2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole

C17H15NO2S — CID 1147052

IUPAC2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)cs2)cc1OC
InChIInChI=1S/C17H15NO2S/c1-19-15-9-8-13(10-16(15)20-2)17-18-14(11-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyGBRFZCYNYHEMAA-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.49
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole

2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole (PubChem CID 1147052) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
PubChem CID1147052
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)cs2)cc1OC
InChIInChI=1S/C17H15NO2S/c1-19-15-9-8-13(10-16(15)20-2)17-18-14(11-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyGBRFZCYNYHEMAA-UHFFFAOYSA-N
XLogP4.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
CID 142633358
2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole
CID 142221430

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole (CID 1147052) is 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole is COc1ccc(-c2nc(-c3ccccc3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole?
The InChIKey is GBRFZCYNYHEMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-19-15-9-8-13(10-16(15)20-2)17-18-14(11-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole has a molecular weight of 297.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 1147052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).