5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

C25H21N5O3S — CID 6219421

IUPAC5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCC(=O)Nc1ccc(/C=N\n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N\c2ccccc2)cc1
InChIInChI=1S/C25H21N5O3S/c1-16(31)28-20-10-7-17(8-11-20)14-27-30-22(18-9-12-23(32)21(13-18)24(26)33)15-34-25(30)29-19-5-3-2-4-6-19/h2-15,32H,1H3,(H2,26,33)(H,28,31)/b27-14-,29-25-
InChIKeyVCWMWXLEQYSXFP-CBMHIGQASA-N
MW471.54 g/mol
LogP4.09
Rot. Bonds6

About 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 6219421) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID6219421
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC Name5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCC(=O)Nc1ccc(/C=N\n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N\c2ccccc2)cc1
InChIInChI=1S/C25H21N5O3S/c1-16(31)28-20-10-7-17(8-11-20)14-27-30-22(18-9-12-23(32)21(13-18)24(26)33)15-34-25(30)29-19-5-3-2-4-6-19/h2-15,32H,1H3,(H2,26,33)(H,28,31)/b27-14-,29-25-
InChIKeyVCWMWXLEQYSXFP-CBMHIGQASA-N
XLogP4.09
TPSA122.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[3-[(Z)-(4-methoxyphenyl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]benzamide
CID 6218804
2-hydroxy-5-[3-(2-methoxyethyl)-2-phenylimino-1,3-thiazol-4-yl]benzamide
CID 16555624
N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
CID 9368181
5-[2-ethylimino-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 135775954
5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 9103840
2-hydroxy-5-[2-(2-methoxyethylimino)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-4-yl]benzamide
CID 29439387
2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide
CID 8716107
N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide
CID 8825779
2-hydroxy-5-[3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]benzamide
CID 6218688
5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide
CID 4848309
N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide
CID 42937068
4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23910735

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 6219421) is 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is CC(=O)Nc1ccc(/C=N\n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N\c2ccccc2)cc1.
What is the InChIKey of 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is VCWMWXLEQYSXFP-CBMHIGQASA-N. The full InChI is InChI=1S/C25H21N5O3S/c1-16(31)28-20-10-7-17(8-11-20)14-27-30-22(18-9-12-23(32)21(13-18)24(26)33)15-34-25(30)29-19-5-3-2-4-6-19/h2-15,32H,1H3,(H2,26,33)(H,28,31)/b27-14-,29-25-.
What are the key properties of 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 471.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 6219421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).