6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide

C23H19N3O3S — CID 25256698

IUPAC6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide
SMILESCN(Cc1cnc(-c2ccccc2)s1)C(=O)c1ccc2cc(C(=O)NO)ccc2c1
InChIInChI=1S/C23H19N3O3S/c1-26(14-20-13-24-22(30-20)15-5-3-2-4-6-15)23(28)19-10-8-16-11-18(21(27)25-29)9-7-17(16)12-19/h2-13,29H,14H2,1H3,(H,25,27)
InChIKeyGBJMSKBBAVGJTC-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.35
Rot. Bonds5

About 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide

6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide (PubChem CID 25256698) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide
PubChem CID25256698
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide
SMILESCN(Cc1cnc(-c2ccccc2)s1)C(=O)c1ccc2cc(C(=O)NO)ccc2c1
InChIInChI=1S/C23H19N3O3S/c1-26(14-20-13-24-22(30-20)15-5-3-2-4-6-15)23(28)19-10-8-16-11-18(21(27)25-29)9-7-17(16)12-19/h2-13,29H,14H2,1H3,(H,25,27)
InChIKeyGBJMSKBBAVGJTC-UHFFFAOYSA-N
XLogP4.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.35
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 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide?
The IUPAC name of 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide (CID 25256698) is 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide?
The canonical SMILES for 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide is CN(Cc1cnc(-c2ccccc2)s1)C(=O)c1ccc2cc(C(=O)NO)ccc2c1.
What is the InChIKey of 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide?
The InChIKey is GBJMSKBBAVGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-26(14-20-13-24-22(30-20)15-5-3-2-4-6-15)23(28)19-10-8-16-11-18(21(27)25-29)9-7-17(16)12-19/h2-13,29H,14H2,1H3,(H,25,27).
What are the key properties of 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide?
6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 25256698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).