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

C20H21N3O2S — CID 45102714

IUPAC4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide
SMILESCCN(Cc1ccc(C(=O)NO)cc1)c1ncc(-c2ccc(C)cc2)s1
InChIInChI=1S/C20H21N3O2S/c1-3-23(13-15-6-10-17(11-7-15)19(24)22-25)20-21-12-18(26-20)16-8-4-14(2)5-9-16/h4-12,25H,3,13H2,1-2H3,(H,22,24)
InChIKeyZVLFKQXYWNYYOJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.26
Rot. Bonds6

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

4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide (PubChem CID 45102714) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide
PubChem CID45102714
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide
SMILESCCN(Cc1ccc(C(=O)NO)cc1)c1ncc(-c2ccc(C)cc2)s1
InChIInChI=1S/C20H21N3O2S/c1-3-23(13-15-6-10-17(11-7-15)19(24)22-25)20-21-12-18(26-20)16-8-4-14(2)5-9-16/h4-12,25H,3,13H2,1-2H3,(H,22,24)
InChIKeyZVLFKQXYWNYYOJ-UHFFFAOYSA-N
XLogP4.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.26
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-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide (CID 45102714) is 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide is CCN(Cc1ccc(C(=O)NO)cc1)c1ncc(-c2ccc(C)cc2)s1.
What is the InChIKey of 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is ZVLFKQXYWNYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-23(13-15-6-10-17(11-7-15)19(24)22-25)20-21-12-18(26-20)16-8-4-14(2)5-9-16/h4-12,25H,3,13H2,1-2H3,(H,22,24).
What are the key properties of 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide?
4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 367.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 45102714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).