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

C15H17NO3S — CID 82423868

IUPAC2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
SMILESCCc1cccc(OCCc2ncc(CC(=O)O)s2)c1
InChIInChI=1S/C15H17NO3S/c1-2-11-4-3-5-12(8-11)19-7-6-14-16-10-13(20-14)9-15(17)18/h3-5,8,10H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyNPTMTGHLRDEDDV-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.95
Rot. Bonds7

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

2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82423868) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID82423868
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
SMILESCCc1cccc(OCCc2ncc(CC(=O)O)s2)c1
InChIInChI=1S/C15H17NO3S/c1-2-11-4-3-5-12(8-11)19-7-6-14-16-10-13(20-14)9-15(17)18/h3-5,8,10H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyNPTMTGHLRDEDDV-UHFFFAOYSA-N
XLogP2.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid
CID 58859470
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191168
2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid
CID 91255672
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
2-(3-octoxyphenyl)acetic acid
CID 11975056
1-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191088
2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82422966
2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82369380
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
N-[[2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422876
4-(3-ethylphenoxy)butanamide
CID 82040637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid (CID 82423868) is 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid is CCc1cccc(OCCc2ncc(CC(=O)O)s2)c1.
What is the InChIKey of 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is NPTMTGHLRDEDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-11-4-3-5-12(8-11)19-7-6-14-16-10-13(20-14)9-15(17)18/h3-5,8,10H,2,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid?
2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 291.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82423868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).