N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide

C23H15Cl2FN4OS — CID 27315818

IUPACN-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
SMILESO=C(Nc1sc(N/N=C\c2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H15Cl2FN4OS/c24-17-9-6-16(19(25)12-17)13-27-30-23-28-20(14-7-10-18(26)11-8-14)22(32-23)29-21(31)15-4-2-1-3-5-15/h1-13H,(H,28,30)(H,29,31)/b27-13-
InChIKeyXFKSWLSAYXXLRZ-WKIKZPBSSA-N
MW485.37 g/mol
LogP6.95
Rot. Bonds6

About N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide

N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide (PubChem CID 27315818) has the molecular formula C23H15Cl2FN4OS and a molecular weight of 485.37 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
PubChem CID27315818
Molecular FormulaC23H15Cl2FN4OS
Molecular Weight485.37 g/mol
Exact Mass484.03
IUPAC NameN-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
SMILESO=C(Nc1sc(N/N=C\c2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H15Cl2FN4OS/c24-17-9-6-16(19(25)12-17)13-27-30-23-28-20(14-7-10-18(26)11-8-14)22(32-23)29-21(31)15-4-2-1-3-5-15/h1-13H,(H,28,30)(H,29,31)/b27-13-
InChIKeyXFKSWLSAYXXLRZ-WKIKZPBSSA-N
XLogP6.95
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]-4-fluorobenzamide
CID 40849790
4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 135956722
N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
CID 135956718
4-fluoro-N-[4-(4-fluorophenyl)-2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]benzamide
CID 3786078
N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 51065363
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 94848933
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300079
methyl 2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 3258589
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide?
The IUPAC name of N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide (CID 27315818) is N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide is O=C(Nc1sc(N/N=C\c2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide?
The InChIKey is XFKSWLSAYXXLRZ-WKIKZPBSSA-N. The full InChI is InChI=1S/C23H15Cl2FN4OS/c24-17-9-6-16(19(25)12-17)13-27-30-23-28-20(14-7-10-18(26)11-8-14)22(32-23)29-21(31)15-4-2-1-3-5-15/h1-13H,(H,28,30)(H,29,31)/b27-13-.
What are the key properties of N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide?
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide has a molecular weight of 485.37 g/mol, XLogP of 6.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 27315818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).