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

C23H19N3O3S — CID 90798676

IUPAC[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(N(c3ccccc3)c3ccc(O)cc3)nc2N)cc1
InChIInChI=1S/C23H19N3O3S/c1-29-19-13-7-15(8-14-19)20(28)21-22(24)25-23(30-21)26(16-5-3-2-4-6-16)17-9-11-18(27)12-10-17/h2-14,27H,24H2,1H3
InChIKeyYAJQFEUDNFOGBW-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.14
Rot. Bonds6

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

[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 90798676) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
PubChem CID90798676
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(N(c3ccccc3)c3ccc(O)cc3)nc2N)cc1
InChIInChI=1S/C23H19N3O3S/c1-29-19-13-7-15(8-14-19)20(28)21-22(24)25-23(30-21)26(16-5-3-2-4-6-16)17-9-11-18(27)12-10-17/h2-14,27H,24H2,1H3
InChIKeyYAJQFEUDNFOGBW-UHFFFAOYSA-N
XLogP5.14
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone
CID 91231217
[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 90706152
(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone
CID 71009635
2-(N-[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)butanamide
CID 166792753
1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 134113848
phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone
CID 102420366
2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
CID 166792687
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
2-(N-[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-3-chloro-4-fluoroanilino)propanamide
CID 166792703
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
CID 42647858
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
CID 166792731

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone (CID 90798676) is [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc(N(c3ccccc3)c3ccc(O)cc3)nc2N)cc1.
What is the InChIKey of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is YAJQFEUDNFOGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-29-19-13-7-15(8-14-19)20(28)21-22(24)25-23(30-21)26(16-5-3-2-4-6-16)17-9-11-18(27)12-10-17/h2-14,27H,24H2,1H3.
What are the key properties of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 417.49 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 90798676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).