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

C15H17NO4S — CID 92936564

IUPAC2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCCc1sc(=O)n(CC(=O)O)c1-c1ccc(OC)c(C)c1
InChIInChI=1S/C15H17NO4S/c1-4-12-14(16(8-13(17)18)15(19)21-12)10-5-6-11(20-3)9(2)7-10/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyPYPLMAMRJLBHOY-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.54
Rot. Bonds5

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

2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (PubChem CID 92936564) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
PubChem CID92936564
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCCc1sc(=O)n(CC(=O)O)c1-c1ccc(OC)c(C)c1
InChIInChI=1S/C15H17NO4S/c1-4-12-14(16(8-13(17)18)15(19)21-12)10-5-6-11(20-3)9(2)7-10/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyPYPLMAMRJLBHOY-UHFFFAOYSA-N
XLogP2.54
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027979
2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027973
2-[4-(1,3-benzodioxol-5-yl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027984
2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid
CID 92936565
3-[4-(3,4-dimethoxyphenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 82027992
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97180987
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-[5-methyl-4-(3-nitrophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 43286885
2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 146411679
2-[4-(4-methoxy-3-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (CID 92936564) is 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is CCc1sc(=O)n(CC(=O)O)c1-c1ccc(OC)c(C)c1.
What is the InChIKey of 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The InChIKey is PYPLMAMRJLBHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-4-12-14(16(8-13(17)18)15(19)21-12)10-5-6-11(20-3)9(2)7-10/h5-7H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid has a molecular weight of 307.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 92936564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).