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

C24H20N4O2S — CID 169196564

IUPAC4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(Oc3sc(C4CC4)nc3-c3ccccc3)ccn2)cc1
InChIInChI=1S/C24H20N4O2S/c25-22(29)16-8-10-18(11-9-16)27-20-14-19(12-13-26-20)30-24-21(15-4-2-1-3-5-15)28-23(31-24)17-6-7-17/h1-5,8-14,17H,6-7H2,(H2,25,29)(H,26,27)
InChIKeyMMKWOKGJNDGFQS-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.72
Rot. Bonds7

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

4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide (PubChem CID 169196564) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
PubChem CID169196564
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(Oc3sc(C4CC4)nc3-c3ccccc3)ccn2)cc1
InChIInChI=1S/C24H20N4O2S/c25-22(29)16-8-10-18(11-9-16)27-20-14-19(12-13-26-20)30-24-21(15-4-2-1-3-5-15)28-23(31-24)17-6-7-17/h1-5,8-14,17H,6-7H2,(H2,25,29)(H,26,27)
InChIKeyMMKWOKGJNDGFQS-UHFFFAOYSA-N
XLogP5.72
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
CID 169196552
3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid
CID 169196594
6-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196537
N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
CID 169196487
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-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate
CID 169196633
2-[3-[[4-[[2-(cyclopropylamino)-4-phenyl-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]phenyl]propan-2-ol
CID 169196646
4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide
CID 68852389
methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 169196678
bicyclo[2.2.0]hexa-1,3,5-triene;4-[[4-[2-(carbamoylamino)naphthalen-1-yl]oxy-2-pyridinyl]amino]benzoic acid
CID 121254644
4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-amine
CID 170172224
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 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide?
The IUPAC name of 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide (CID 169196564) is 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide?
The canonical SMILES for 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide is NC(=O)c1ccc(Nc2cc(Oc3sc(C4CC4)nc3-c3ccccc3)ccn2)cc1.
What is the InChIKey of 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide?
The InChIKey is MMKWOKGJNDGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c25-22(29)16-8-10-18(11-9-16)27-20-14-19(12-13-26-20)30-24-21(15-4-2-1-3-5-15)28-23(31-24)17-6-7-17/h1-5,8-14,17H,6-7H2,(H2,25,29)(H,26,27).
What are the key properties of 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide?
4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide has a molecular weight of 428.52 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 169196564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).