4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid

C13H13NO3S — CID 63152487

IUPAC4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
SMILESCOCCc1nc(-c2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C13H13NO3S/c1-17-7-6-12-14-11(8-18-12)9-2-4-10(5-3-9)13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyWDEVZAZPFLLZHG-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.70
Rot. Bonds5

About 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid

4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid (PubChem CID 63152487) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
PubChem CID63152487
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
SMILESCOCCc1nc(-c2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C13H13NO3S/c1-17-7-6-12-14-11(8-18-12)9-2-4-10(5-3-9)13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyWDEVZAZPFLLZHG-UHFFFAOYSA-N
XLogP2.70
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256826
4-[2-(cyclopentylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256814
4-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 65140990
2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline
CID 39164043
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
CID 7174481
4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]benzoic acid
CID 59807342
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
4-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]benzoic acid
CID 116732286
4-[2-[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]-1,3-thiazol-2-yl]ethyl]benzoic acid
CID 23023955

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid?
The IUPAC name of 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid (CID 63152487) is 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid.
What is the SMILES notation for 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid?
The canonical SMILES for 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid is COCCc1nc(-c2ccc(C(=O)O)cc2)cs1.
What is the InChIKey of 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid?
The InChIKey is WDEVZAZPFLLZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-17-7-6-12-14-11(8-18-12)9-2-4-10(5-3-9)13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid?
4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid has a molecular weight of 263.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid is sourced from PubChem (CID 63152487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).