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

C15H17NO2S — CID 64662495

IUPAC2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(Cc2nc(C)c(CC(=O)O)s2)cc1C
InChIInChI=1S/C15H17NO2S/c1-9-4-5-12(6-10(9)2)7-14-16-11(3)13(19-14)8-15(17)18/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyIAUYOBOIQIFLOO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.29
Rot. Bonds4

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

2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 64662495) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID64662495
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(Cc2nc(C)c(CC(=O)O)s2)cc1C
InChIInChI=1S/C15H17NO2S/c1-9-4-5-12(6-10(9)2)7-14-16-11(3)13(19-14)8-15(17)18/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyIAUYOBOIQIFLOO-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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Related Compounds

2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82093695
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94761086
2-[2-[3-(3,4-dimethylphenoxy)propyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760737
N-[[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62904386
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970097
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82802807
2-[(3,4-dimethylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359522
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
2-[(3,4-dimethylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 62900341

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 64662495) is 2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1ccc(Cc2nc(C)c(CC(=O)O)s2)cc1C.
What is the InChIKey of 2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is IAUYOBOIQIFLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-9-4-5-12(6-10(9)2)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-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(3,4-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-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 64662495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).