2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde

C22H17N3O2S — CID 87483194

IUPAC2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde
SMILESO=CCc1cc(Nc2nc(-c3cccnc3)cs2)ccc1Oc1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-12-10-16-13-18(8-9-21(16)27-19-6-2-1-3-7-19)24-22-25-20(15-28-22)17-5-4-11-23-14-17/h1-9,11-15H,10H2,(H,24,25)
InChIKeyWUUADRGFYKMUPF-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.48
Rot. Bonds7

About 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde

2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde (PubChem CID 87483194) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde
PubChem CID87483194
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde
SMILESO=CCc1cc(Nc2nc(-c3cccnc3)cs2)ccc1Oc1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-12-10-16-13-18(8-9-21(16)27-19-6-2-1-3-7-19)24-22-25-20(15-28-22)17-5-4-11-23-14-17/h1-9,11-15H,10H2,(H,24,25)
InChIKeyWUUADRGFYKMUPF-UHFFFAOYSA-N
XLogP5.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791567
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791260
N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791691
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
N-[4-[(Z)-oct-5-enoxy]-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791229

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde?
The IUPAC name of 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde (CID 87483194) is 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde?
The canonical SMILES for 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde is O=CCc1cc(Nc2nc(-c3cccnc3)cs2)ccc1Oc1ccccc1.
What is the InChIKey of 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde?
The InChIKey is WUUADRGFYKMUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-12-10-16-13-18(8-9-21(16)27-19-6-2-1-3-7-19)24-22-25-20(15-28-22)17-5-4-11-23-14-17/h1-9,11-15H,10H2,(H,24,25).
What are the key properties of 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde?
2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde has a molecular weight of 387.46 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde is sourced from PubChem (CID 87483194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).