2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole

C18H17NO2S — CID 39902669

IUPAC2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
SMILESCOc1cccc(-c2nc(C)c(-c3ccccc3)s2)c1OC
InChIInChI=1S/C18H17NO2S/c1-12-17(13-8-5-4-6-9-13)22-18(19-12)14-10-7-11-15(20-2)16(14)21-3/h4-11H,1-3H3
InChIKeyKWEMMDWAMBJSHT-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.80
Rot. Bonds4

About 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole

2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole (PubChem CID 39902669) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
PubChem CID39902669
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
SMILESCOc1cccc(-c2nc(C)c(-c3ccccc3)s2)c1OC
InChIInChI=1S/C18H17NO2S/c1-12-17(13-8-5-4-6-9-13)22-18(19-12)14-10-7-11-15(20-2)16(14)21-3/h4-11H,1-3H3
InChIKeyKWEMMDWAMBJSHT-UHFFFAOYSA-N
XLogP4.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole (CID 39902669) is 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole is COc1cccc(-c2nc(C)c(-c3ccccc3)s2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole?
The InChIKey is KWEMMDWAMBJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-12-17(13-8-5-4-6-9-13)22-18(19-12)14-10-7-11-15(20-2)16(14)21-3/h4-11H,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole?
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole has a molecular weight of 311.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole is sourced from PubChem (CID 39902669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).