4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole

C13H15NOS — CID 82129096

IUPAC4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
SMILESCOc1cc(C)c(C)cc1-c1csc(C)n1
InChIInChI=1S/C13H15NOS/c1-8-5-11(12-7-16-10(3)14-12)13(15-4)6-9(8)2/h5-7H,1-4H3
InChIKeyROGNOVPWUXBBFW-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.74
Rot. Bonds2

About 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole

4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole (PubChem CID 82129096) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
PubChem CID82129096
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
SMILESCOc1cc(C)c(C)cc1-c1csc(C)n1
InChIInChI=1S/C13H15NOS/c1-8-5-11(12-7-16-10(3)14-12)13(15-4)6-9(8)2/h5-7H,1-4H3
InChIKeyROGNOVPWUXBBFW-UHFFFAOYSA-N
XLogP3.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole (CID 82129096) is 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole is COc1cc(C)c(C)cc1-c1csc(C)n1.
What is the InChIKey of 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole?
The InChIKey is ROGNOVPWUXBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-5-11(12-7-16-10(3)14-12)13(15-4)6-9(8)2/h5-7H,1-4H3.
What are the key properties of 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole?
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 82129096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).