[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

C25H18N4O3S — CID 90706152

IUPAC[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESNc1nc(N(c2ccccc2)c2ccc(O)cc2)sc1C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C25H18N4O3S/c26-24-23(22(31)21-15-20(28-32-21)16-7-3-1-4-8-16)33-25(27-24)29(17-9-5-2-6-10-17)18-11-13-19(30)14-12-18/h1-15,30H,26H2
InChIKeyIGGSFGZHQNDAPS-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.79
Rot. Bonds6

About [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 90706152) has the molecular formula C25H18N4O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID90706152
Molecular FormulaC25H18N4O3S
Molecular Weight454.51 g/mol
Exact Mass454.11
IUPAC Name[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESNc1nc(N(c2ccccc2)c2ccc(O)cc2)sc1C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C25H18N4O3S/c26-24-23(22(31)21-15-20(28-32-21)16-7-3-1-4-8-16)33-25(27-24)29(17-9-5-2-6-10-17)18-11-13-19(30)14-12-18/h1-15,30H,26H2
InChIKeyIGGSFGZHQNDAPS-UHFFFAOYSA-N
XLogP5.79
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
CID 90798676
[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone
CID 91231217
phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone
CID 102420366
1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 134113848
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667777
1-(3-phenyl-1,2-oxazol-5-yl)ethenamine
CID 143747120
(2R)-2-(N-[4-amino-5-[3-(hydroxymethyl)-1,2-oxazole-5-carbonyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 175848875
4-N-(1,3-benzothiazol-2-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 166918017
N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119584563
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 168771303

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 90706152) is [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is Nc1nc(N(c2ccccc2)c2ccc(O)cc2)sc1C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is IGGSFGZHQNDAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3S/c26-24-23(22(31)21-15-20(28-32-21)16-7-3-1-4-8-16)33-25(27-24)29(17-9-5-2-6-10-17)18-11-13-19(30)14-12-18/h1-15,30H,26H2.
What are the key properties of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 454.51 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90706152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).