2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid

C17H21NO3S — CID 58859470

IUPAC2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid
SMILESCCc1nc(CCOc2cccc(CC(=O)O)c2)c(CC)s1
InChIInChI=1S/C17H21NO3S/c1-3-15-14(18-16(4-2)22-15)8-9-21-13-7-5-6-12(10-13)11-17(19)20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,20)
InChIKeySQCDKDRLRBGVEI-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.52
Rot. Bonds8

About 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid

2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid (PubChem CID 58859470) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid
PubChem CID58859470
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid
SMILESCCc1nc(CCOc2cccc(CC(=O)O)c2)c(CC)s1
InChIInChI=1S/C17H21NO3S/c1-3-15-14(18-16(4-2)22-15)8-9-21-13-7-5-6-12(10-13)11-17(19)20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,20)
InChIKeySQCDKDRLRBGVEI-UHFFFAOYSA-N
XLogP3.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82423868
2-(3-octoxyphenyl)acetic acid
CID 11975056
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid
CID 91255672
5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 117098876
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid
CID 157375212
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-[3-[2-[2-[4-(dimethylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 22169844

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid (CID 58859470) is 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid is CCc1nc(CCOc2cccc(CC(=O)O)c2)c(CC)s1.
What is the InChIKey of 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid?
The InChIKey is SQCDKDRLRBGVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-15-14(18-16(4-2)22-15)8-9-21-13-7-5-6-12(10-13)11-17(19)20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid?
2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid has a molecular weight of 319.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 58859470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).