N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide

C23H17F3N4O2S — CID 169196487

IUPACN-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2cc(Oc3sc(C(F)(F)F)nc3-c3ccccc3)ccn2)cc1
InChIInChI=1S/C23H17F3N4O2S/c1-27-20(31)15-7-9-16(10-8-15)29-18-13-17(11-12-28-18)32-21-19(14-5-3-2-4-6-14)30-22(33-21)23(24,25)26/h2-13H,1H3,(H,27,31)(H,28,29)
InChIKeyHPUFNPDOJFLTGW-UHFFFAOYSA-N
MW470.48 g/mol
LogP6.12
Rot. Bonds6

About N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide

N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide (PubChem CID 169196487) has the molecular formula C23H17F3N4O2S and a molecular weight of 470.48 g/mol. Its IUPAC name is N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
PubChem CID169196487
Molecular FormulaC23H17F3N4O2S
Molecular Weight470.48 g/mol
Exact Mass470.10
IUPAC NameN-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2cc(Oc3sc(C(F)(F)F)nc3-c3ccccc3)ccn2)cc1
InChIInChI=1S/C23H17F3N4O2S/c1-27-20(31)15-7-9-16(10-8-15)29-18-13-17(11-12-28-18)32-21-19(14-5-3-2-4-6-14)30-22(33-21)23(24,25)26/h2-13H,1H3,(H,27,31)(H,28,29)
InChIKeyHPUFNPDOJFLTGW-UHFFFAOYSA-N
XLogP6.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
CID 169196564
3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid
CID 169196594
2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
CID 169196552
methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate
CID 169196633
6-[[4-[[2-(dimethylamino)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]-N-methylpyridine-3-carboxamide
CID 169196581
6-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196537
2-[3-[[4-[[2-(cyclopropylamino)-4-phenyl-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]phenyl]propan-2-ol
CID 169196646
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
4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-amine
CID 170172224
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile
CID 169196595

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide (CID 169196487) is N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide is CNC(=O)c1ccc(Nc2cc(Oc3sc(C(F)(F)F)nc3-c3ccccc3)ccn2)cc1.
What is the InChIKey of N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide?
The InChIKey is HPUFNPDOJFLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2S/c1-27-20(31)15-7-9-16(10-8-15)29-18-13-17(11-12-28-18)32-21-19(14-5-3-2-4-6-14)30-22(33-21)23(24,25)26/h2-13H,1H3,(H,27,31)(H,28,29).
What are the key properties of N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide?
N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide has a molecular weight of 470.48 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 169196487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).