2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid

C15H17NO4S — CID 43532271

IUPAC2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid
SMILESCc1ncsc1CCOCCOc1ccccc1C(=O)O
InChIInChI=1S/C15H17NO4S/c1-11-14(21-10-16-11)6-7-19-8-9-20-13-5-3-2-4-12(13)15(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyKNQJKAIPFUZAMC-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.79
Rot. Bonds8

About 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid

2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid (PubChem CID 43532271) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid
PubChem CID43532271
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid
SMILESCc1ncsc1CCOCCOc1ccccc1C(=O)O
InChIInChI=1S/C15H17NO4S/c1-11-14(21-10-16-11)6-7-19-8-9-20-13-5-3-2-4-12(13)15(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyKNQJKAIPFUZAMC-UHFFFAOYSA-N
XLogP2.79
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
CID 55035243
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1-phenylbutan-1-one
CID 62030778
4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
CID 79403461
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]but-2-enoic acid
CID 76940783
4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole
CID 21299291
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
CID 65444170
3-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]prop-2-enoic acid
CID 76908882
methyl 3-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoate
CID 115935655

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid (CID 43532271) is 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid is Cc1ncsc1CCOCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid?
The InChIKey is KNQJKAIPFUZAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-11-14(21-10-16-11)6-7-19-8-9-20-13-5-3-2-4-12(13)15(17)18/h2-5,10H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid?
2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid has a molecular weight of 307.37 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid is sourced from PubChem (CID 43532271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).