2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid

C15H17NO2S — CID 82069356

IUPAC2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1ccc(-c2nc(CC)sc2CC(=O)O)cc1
InChIInChI=1S/C15H17NO2S/c1-3-10-5-7-11(8-6-10)15-12(9-14(17)18)19-13(4-2)16-15/h5-8H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyKRBWMLPTUBRCIJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.56
Rot. Bonds5

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

2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82069356) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82069356
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1ccc(-c2nc(CC)sc2CC(=O)O)cc1
InChIInChI=1S/C15H17NO2S/c1-3-10-5-7-11(8-6-10)15-12(9-14(17)18)19-13(4-2)16-15/h5-8H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyKRBWMLPTUBRCIJ-UHFFFAOYSA-N
XLogP3.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82069366
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39349792
2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
CID 23770800
2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82069351
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
CID 82477699
2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 46230041
4-[[5-ethyl-4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163872
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
CID 82069378
2-[4-(4-methylphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
CID 71188401

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 82069356) is 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid is CCc1ccc(-c2nc(CC)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is KRBWMLPTUBRCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-10-5-7-11(8-6-10)15-12(9-14(17)18)19-13(4-2)16-15/h5-8H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 275.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82069356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).