2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

C15H17NO2S — CID 82093695

IUPAC2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(C)c(Cc2nc(C)c(CC(=O)O)s2)c1
InChIInChI=1S/C15H17NO2S/c1-9-4-5-10(2)12(6-9)7-14-16-11(3)13(19-14)8-15(17)18/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyKPUDZOHHATWMRE-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.29
Rot. Bonds4

About 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82093695) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82093695
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(C)c(Cc2nc(C)c(CC(=O)O)s2)c1
InChIInChI=1S/C15H17NO2S/c1-9-4-5-10(2)12(6-9)7-14-16-11(3)13(19-14)8-15(17)18/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyKPUDZOHHATWMRE-UHFFFAOYSA-N
XLogP3.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 82093695) is 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1ccc(C)c(Cc2nc(C)c(CC(=O)O)s2)c1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is KPUDZOHHATWMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-9-4-5-10(2)12(6-9)7-14-16-11(3)13(19-14)8-15(17)18/h4-6H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 275.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82093695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).