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

C22H25N3O2S — CID 45487906

IUPACN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide
SMILESCc1ccc(-c2cnc(N(Cc3ccc(C(=O)NO)cc3)CC(C)C)s2)cc1
InChIInChI=1S/C22H25N3O2S/c1-15(2)13-25(14-17-6-10-19(11-7-17)21(26)24-27)22-23-12-20(28-22)18-8-4-16(3)5-9-18/h4-12,15,27H,13-14H2,1-3H3,(H,24,26)
InChIKeyZVQNJAASWYCYGM-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.90
Rot. Bonds7

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

N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide (PubChem CID 45487906) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide
PubChem CID45487906
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide
SMILESCc1ccc(-c2cnc(N(Cc3ccc(C(=O)NO)cc3)CC(C)C)s2)cc1
InChIInChI=1S/C22H25N3O2S/c1-15(2)13-25(14-17-6-10-19(11-7-17)21(26)24-27)22-23-12-20(28-22)18-8-4-16(3)5-9-18/h4-12,15,27H,13-14H2,1-3H3,(H,24,26)
InChIKeyZVQNJAASWYCYGM-UHFFFAOYSA-N
XLogP4.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.90
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 N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide (CID 45487906) is N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide is Cc1ccc(-c2cnc(N(Cc3ccc(C(=O)NO)cc3)CC(C)C)s2)cc1.
What is the InChIKey of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide?
The InChIKey is ZVQNJAASWYCYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15(2)13-25(14-17-6-10-19(11-7-17)21(26)24-27)22-23-12-20(28-22)18-8-4-16(3)5-9-18/h4-12,15,27H,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide?
N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide has a molecular weight of 395.53 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide is sourced from PubChem (CID 45487906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).