2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid

C22H22N2O5S — CID 19041001

IUPAC2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
SMILESCCOc1ccc(-c2nc(-c3ccc(C(=O)NCC(=O)O)cc3)cs2)cc1OCC
InChIInChI=1S/C22H22N2O5S/c1-3-28-18-10-9-16(11-19(18)29-4-2)22-24-17(13-30-22)14-5-7-15(8-6-14)21(27)23-12-20(25)26/h5-11,13H,3-4,12H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyWWKSVUXJKHPTHC-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.09
Rot. Bonds9

About 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid

2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid (PubChem CID 19041001) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
PubChem CID19041001
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
SMILESCCOc1ccc(-c2nc(-c3ccc(C(=O)NCC(=O)O)cc3)cs2)cc1OCC
InChIInChI=1S/C22H22N2O5S/c1-3-28-18-10-9-16(11-19(18)29-4-2)22-24-17(13-30-22)14-5-7-15(8-6-14)21(27)23-12-20(25)26/h5-11,13H,3-4,12H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyWWKSVUXJKHPTHC-UHFFFAOYSA-N
XLogP4.09
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid with MolForge

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Related Compounds

4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-hydroxy-5-prop-2-enylbenzoic acid
CID 18707267
methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
CID 123132950
5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-hydroxy-3-(2-methylprop-2-enyl)benzoic acid
CID 18707195
5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-benzofuran-7-carboxylic acid
CID 18707309
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
CID 175274809
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid (CID 19041001) is 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid is CCOc1ccc(-c2nc(-c3ccc(C(=O)NCC(=O)O)cc3)cs2)cc1OCC.
What is the InChIKey of 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid?
The InChIKey is WWKSVUXJKHPTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-3-28-18-10-9-16(11-19(18)29-4-2)22-24-17(13-30-22)14-5-7-15(8-6-14)21(27)23-12-20(25)26/h5-11,13H,3-4,12H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid?
2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid has a molecular weight of 426.49 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid is sourced from PubChem (CID 19041001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).