6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid

C19H18N2O4S — CID 3025803

IUPAC6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESCCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC
InChIInChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)
InChIKeyXDBHURGONHZNJF-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.37
Rot. Bonds7

About 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid

6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 3025803) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
PubChem CID3025803
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESCCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC
InChIInChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)
InChIKeyXDBHURGONHZNJF-UHFFFAOYSA-N
XLogP4.37
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic Acid
CID 1473790
5-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]thiophene-2-carboxylic acid
CID 10045012
5-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid
CID 10451079
2-(3,4-Diethoxyphenyl)-4-(3-carboxyphenyl)thiazole
CID 10451740
4-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]benzoic acid
CID 10429181
6-(2-Benzyl-thiazol-4-yl)-5-methoxy-pyridine-2-carboxylic acid
CID 44307469
5-Methoxy-6-(2-phenethyl-thiazol-4-yl)-pyridine-2-carboxylic acid
CID 44307715
2-(2-(3,4-Dimethoxybenzyl)-4-phenylthiazol-5-yl)acetic acid
CID 46229759
2-[2-(4-Ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
CID 2497236
5-Methoxy-6-(2-phenyl-thiazol-4-yl)-pyridine-2-carboxylic acid
CID 44307536
Ethyl 6-(2-(4-methoxydibenzo[b,d]furan-1-yl)thiazol-4-yl)picolinate
CID 46846700
6-(2-(4-Methoxydibenzo[b,d]furan-1-yl)thiazol-4-yl)picolinic acid
CID 46846701

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (CID 3025803) is 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is CCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC.
What is the InChIKey of 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is XDBHURGONHZNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 3025803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).