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

C19H19N3O4S — CID 19041052

IUPAC4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESCCOc1ccc(-c2nc(-c3cc(N)cc(C(=O)O)n3)cs2)cc1OCC
InChIInChI=1S/C19H19N3O4S/c1-3-25-16-6-5-11(7-17(16)26-4-2)18-22-15(10-27-18)13-8-12(20)9-14(21-13)19(23)24/h5-10H,3-4H2,1-2H3,(H2,20,21)(H,23,24)
InChIKeyAVURYSVWISCFPI-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.95
Rot. Bonds7

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

4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 19041052) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
PubChem CID19041052
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESCCOc1ccc(-c2nc(-c3cc(N)cc(C(=O)O)n3)cs2)cc1OCC
InChIInChI=1S/C19H19N3O4S/c1-3-25-16-6-5-11(7-17(16)26-4-2)18-22-15(10-27-18)13-8-12(20)9-14(21-13)19(23)24/h5-10H,3-4H2,1-2H3,(H2,20,21)(H,23,24)
InChIKeyAVURYSVWISCFPI-UHFFFAOYSA-N
XLogP3.95
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
CID 19041001
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 22680767
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-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
CID 18707123
3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-hydroxy-5-prop-2-enylbenzoic acid
CID 18707267
[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
CID 175274809
methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
CID 123132950
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (CID 19041052) is 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is CCOc1ccc(-c2nc(-c3cc(N)cc(C(=O)O)n3)cs2)cc1OCC.
What is the InChIKey of 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is AVURYSVWISCFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-25-16-6-5-11(7-17(16)26-4-2)18-22-15(10-27-18)13-8-12(20)9-14(21-13)19(23)24/h5-10H,3-4H2,1-2H3,(H2,20,21)(H,23,24).
What are the key properties of 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 385.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 19041052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).