N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide

C18H17N3O2S — CID 87449644

IUPACN-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
SMILESO=C(NO)C(c1ccccc1)c1ccc(NCc2nccs2)cc1
InChIInChI=1S/C18H17N3O2S/c22-18(21-23)17(13-4-2-1-3-5-13)14-6-8-15(9-7-14)20-12-16-19-10-11-24-16/h1-11,17,20,23H,12H2,(H,21,22)
InChIKeyAKXBYTRCYYAKIU-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.39
Rot. Bonds6

About N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide

N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide (PubChem CID 87449644) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
PubChem CID87449644
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
SMILESO=C(NO)C(c1ccccc1)c1ccc(NCc2nccs2)cc1
InChIInChI=1S/C18H17N3O2S/c22-18(21-23)17(13-4-2-1-3-5-13)14-6-8-15(9-7-14)20-12-16-19-10-11-24-16/h1-11,17,20,23H,12H2,(H,21,22)
InChIKeyAKXBYTRCYYAKIU-UHFFFAOYSA-N
XLogP3.39
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.39
H-Bond Donors ≤ 53
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-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide (CID 87449644) is N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide is O=C(NO)C(c1ccccc1)c1ccc(NCc2nccs2)cc1.
What is the InChIKey of N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide?
The InChIKey is AKXBYTRCYYAKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(21-23)17(13-4-2-1-3-5-13)14-6-8-15(9-7-14)20-12-16-19-10-11-24-16/h1-11,17,20,23H,12H2,(H,21,22).
What are the key properties of N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide?
N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenyl-2-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 87449644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).