N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide

C26H25N3O3S — CID 45102716

IUPACN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
SMILESCc1ccc(-c2cnc(N(CCOc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1
InChIInChI=1S/C26H25N3O3S/c1-19-7-11-21(12-8-19)24-17-27-26(33-24)29(15-16-32-23-5-3-2-4-6-23)18-20-9-13-22(14-10-20)25(30)28-31/h2-14,17,31H,15-16,18H2,1H3,(H,28,30)
InChIKeyTYUFMBOHNCOHNX-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.32
Rot. Bonds9

About N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide

N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide (PubChem CID 45102716) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
PubChem CID45102716
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
SMILESCc1ccc(-c2cnc(N(CCOc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1
InChIInChI=1S/C26H25N3O3S/c1-19-7-11-21(12-8-19)24-17-27-26(33-24)29(15-16-32-23-5-3-2-4-6-23)18-20-9-13-22(14-10-20)25(30)28-31/h2-14,17,31H,15-16,18H2,1H3,(H,28,30)
InChIKeyTYUFMBOHNCOHNX-UHFFFAOYSA-N
XLogP5.32
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide (CID 45102716) is N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide is Cc1ccc(-c2cnc(N(CCOc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1.
What is the InChIKey of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide?
The InChIKey is TYUFMBOHNCOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-19-7-11-21(12-8-19)24-17-27-26(33-24)29(15-16-32-23-5-3-2-4-6-23)18-20-9-13-22(14-10-20)25(30)28-31/h2-14,17,31H,15-16,18H2,1H3,(H,28,30).
What are the key properties of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide?
N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide has a molecular weight of 459.57 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide is sourced from PubChem (CID 45102716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).