2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C15H17NO3S — CID 83969601

IUPAC2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1c(C)cc(C)cc1Cc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C15H17NO3S/c1-8-5-9(2)13(19-4)11(6-8)7-12-16-10(3)14(20-12)15(17)18/h5-6H,7H2,1-4H3,(H,17,18)
InChIKeyFVIODZRURMTCSC-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.37
Rot. Bonds4

About 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 83969601) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID83969601
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1c(C)cc(C)cc1Cc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C15H17NO3S/c1-8-5-9(2)13(19-4)11(6-8)7-12-16-10(3)14(20-12)15(17)18/h5-6H,7H2,1-4H3,(H,17,18)
InChIKeyFVIODZRURMTCSC-UHFFFAOYSA-N
XLogP3.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 83969601) is 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is COc1c(C)cc(C)cc1Cc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FVIODZRURMTCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-8-5-9(2)13(19-4)11(6-8)7-12-16-10(3)14(20-12)15(17)18/h5-6H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83969601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).