4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide

C23H17ClN4O2S — CID 3143378

IUPAC4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H17ClN4O2S/c24-18-7-9-19(10-8-18)26-23-27-21(14-31-23)16-3-5-17(6-4-16)22(30)28-25-13-15-1-11-20(29)12-2-15/h1-14,29H,(H,26,27)(H,28,30)
InChIKeySTBLTBXUEVXXQL-UHFFFAOYSA-N
MW448.94 g/mol
LogP5.68
Rot. Bonds6

About 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide

4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 3143378) has the molecular formula C23H17ClN4O2S and a molecular weight of 448.94 g/mol. Its IUPAC name is 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID3143378
Molecular FormulaC23H17ClN4O2S
Molecular Weight448.94 g/mol
Exact Mass448.08
IUPAC Name4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H17ClN4O2S/c24-18-7-9-19(10-8-18)26-23-27-21(14-31-23)16-3-5-17(6-4-16)22(30)28-25-13-15-1-11-20(29)12-2-15/h1-14,29H,(H,26,27)(H,28,30)
InChIKeySTBLTBXUEVXXQL-UHFFFAOYSA-N
XLogP5.68
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.94
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 126048114
ethyl 2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 46916210
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126057069
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126262168
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 46880291
N-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzamide
CID 126278649
N-[(Z)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzamide
CID 137062416
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126045296
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-4-(2-anilino-1,3-thiazol-4-yl)benzamide
CID 126264688
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzamide
CID 126264439
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126036762

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide (CID 3143378) is 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(O)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is STBLTBXUEVXXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2S/c24-18-7-9-19(10-8-18)26-23-27-21(14-31-23)16-3-5-17(6-4-16)22(30)28-25-13-15-1-11-20(29)12-2-15/h1-14,29H,(H,26,27)(H,28,30).
What are the key properties of 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide?
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 448.94 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3143378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).