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

C16H19NO4S — CID 92936565

IUPAC2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid
SMILESCCCOc1ccc(-c2c(CC)sc(=O)n2CC(=O)O)cc1
InChIInChI=1S/C16H19NO4S/c1-3-9-21-12-7-5-11(6-8-12)15-13(4-2)22-16(20)17(15)10-14(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyASKFLEDPZZJCQM-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.01
Rot. Bonds7

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

2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid (PubChem CID 92936565) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid
PubChem CID92936565
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid
SMILESCCCOc1ccc(-c2c(CC)sc(=O)n2CC(=O)O)cc1
InChIInChI=1S/C16H19NO4S/c1-3-9-21-12-7-5-11(6-8-12)15-13(4-2)22-16(20)17(15)10-14(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyASKFLEDPZZJCQM-UHFFFAOYSA-N
XLogP3.01
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027973
2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936564
2-ethyl-6-methyl-3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198979
2-[5-[(4-butoxyphenyl)methyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 54019027
4-(4-propoxyphenyl)benzamide
CID 23771495
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
4-butoxy-N-[5-ethyl-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 126212851
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4284156
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid
CID 82225342

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid (CID 92936565) is 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid is CCCOc1ccc(-c2c(CC)sc(=O)n2CC(=O)O)cc1.
What is the InChIKey of 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid?
The InChIKey is ASKFLEDPZZJCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-3-9-21-12-7-5-11(6-8-12)15-13(4-2)22-16(20)17(15)10-14(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid?
2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid has a molecular weight of 321.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 92936565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).