3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid

C23H19N3O3S — CID 169196594

IUPAC3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid
SMILESCCc1nc(-c2ccccc2)c(Oc2ccnc(Nc3cccc(C(=O)O)c3)c2)s1
InChIInChI=1S/C23H19N3O3S/c1-2-20-26-21(15-7-4-3-5-8-15)23(30-20)29-18-11-12-24-19(14-18)25-17-10-6-9-16(13-17)22(27)28/h3-14H,2H2,1H3,(H,24,25)(H,27,28)
InChIKeyGUGHVAOSMAICHO-UHFFFAOYSA-N
MW417.49 g/mol
LogP6.00
Rot. Bonds7

About 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid

3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid (PubChem CID 169196594) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid
PubChem CID169196594
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid
SMILESCCc1nc(-c2ccccc2)c(Oc2ccnc(Nc3cccc(C(=O)O)c3)c2)s1
InChIInChI=1S/C23H19N3O3S/c1-2-20-26-21(15-7-4-3-5-8-15)23(30-20)29-18-11-12-24-19(14-18)25-17-10-6-9-16(13-17)22(27)28/h3-14H,2H2,1H3,(H,24,25)(H,27,28)
InChIKeyGUGHVAOSMAICHO-UHFFFAOYSA-N
XLogP6.00
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate
CID 169196633
4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 169196419
4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
CID 169196564
N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
CID 169196487
2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
CID 169196552
2-[3-[[4-[[2-(cyclopropylamino)-4-phenyl-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]phenyl]propan-2-ol
CID 169196646
3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile
CID 169196595
4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-amine
CID 170172224
6-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196537
6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196493
methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 169196678
2-(naphthalen-2-ylamino)pyridine-4-carboxylic acid
CID 60726061

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid?
The IUPAC name of 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid (CID 169196594) is 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid?
The canonical SMILES for 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid is CCc1nc(-c2ccccc2)c(Oc2ccnc(Nc3cccc(C(=O)O)c3)c2)s1.
What is the InChIKey of 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid?
The InChIKey is GUGHVAOSMAICHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-2-20-26-21(15-7-4-3-5-8-15)23(30-20)29-18-11-12-24-19(14-18)25-17-10-6-9-16(13-17)22(27)28/h3-14H,2H2,1H3,(H,24,25)(H,27,28).
What are the key properties of 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid?
3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid has a molecular weight of 417.49 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 169196594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).