N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

C23H25N3O4S — CID 166630419

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc(Oc3ccccc3)cc2)s1)NO
InChIInChI=1S/C23H25N3O4S/c27-21(26-29)10-6-1-2-7-15-24-22(28)20-16-25-23(31-20)17-11-13-19(14-12-17)30-18-8-4-3-5-9-18/h3-5,8-9,11-14,16,29H,1-2,6-7,10,15H2,(H,24,28)(H,26,27)
InChIKeyFOIBVBRYGGGPNY-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.79
Rot. Bonds11

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 166630419) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID166630419
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc(Oc3ccccc3)cc2)s1)NO
InChIInChI=1S/C23H25N3O4S/c27-21(26-29)10-6-1-2-7-15-24-22(28)20-16-25-23(31-20)17-11-13-19(14-12-17)30-18-8-4-3-5-9-18/h3-5,8-9,11-14,16,29H,1-2,6-7,10,15H2,(H,24,28)(H,26,27)
InChIKeyFOIBVBRYGGGPNY-UHFFFAOYSA-N
XLogP4.79
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (CID 166630419) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(-c2ccc(Oc3ccccc3)cc2)s1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FOIBVBRYGGGPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c27-21(26-29)10-6-1-2-7-15-24-22(28)20-16-25-23(31-20)17-11-13-19(14-12-17)30-18-8-4-3-5-9-18/h3-5,8-9,11-14,16,29H,1-2,6-7,10,15H2,(H,24,28)(H,26,27).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.79, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166630419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).