4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide

C25H23N3O2S — CID 45487887

IUPAC4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(-c2cnc(N(Cc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1
InChIInChI=1S/C25H23N3O2S/c1-18-7-11-21(12-8-18)23-15-26-25(31-23)28(16-19-5-3-2-4-6-19)17-20-9-13-22(14-10-20)24(29)27-30/h2-15,30H,16-17H2,1H3,(H,27,29)
InChIKeyYGBHTIWWCJZDFE-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.44
Rot. Bonds7

About 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide

4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide (PubChem CID 45487887) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide
PubChem CID45487887
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(-c2cnc(N(Cc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1
InChIInChI=1S/C25H23N3O2S/c1-18-7-11-21(12-8-18)23-15-26-25(31-23)28(16-19-5-3-2-4-6-19)17-20-9-13-22(14-10-20)24(29)27-30/h2-15,30H,16-17H2,1H3,(H,27,29)
InChIKeyYGBHTIWWCJZDFE-UHFFFAOYSA-N
XLogP5.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide (CID 45487887) is 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide is Cc1ccc(-c2cnc(N(Cc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1.
What is the InChIKey of 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is YGBHTIWWCJZDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-18-7-11-21(12-8-18)23-15-26-25(31-23)28(16-19-5-3-2-4-6-19)17-20-9-13-22(14-10-20)24(29)27-30/h2-15,30H,16-17H2,1H3,(H,27,29).
What are the key properties of 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide?
4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 429.55 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 45487887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).