2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide

C17H21N3O5S — CID 166630119

IUPAC2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCC(=O)NO)s2)c(OC)c1
InChIInChI=1S/C17H21N3O5S/c1-24-11-6-7-12(13(9-11)25-2)17-19-10-14(26-17)16(22)18-8-4-3-5-15(21)20-23/h6-7,9-10,23H,3-5,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyLOPYBYZSXWJUDR-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.23
Rot. Bonds9

About 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide

2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide (PubChem CID 166630119) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide
PubChem CID166630119
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCC(=O)NO)s2)c(OC)c1
InChIInChI=1S/C17H21N3O5S/c1-24-11-6-7-12(13(9-11)25-2)17-19-10-14(26-17)16(22)18-8-4-3-5-15(21)20-23/h6-7,9-10,23H,3-5,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyLOPYBYZSXWJUDR-UHFFFAOYSA-N
XLogP2.23
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide (CID 166630119) is 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCCCCC(=O)NO)s2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LOPYBYZSXWJUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-11-6-7-12(13(9-11)25-2)17-19-10-14(26-17)16(22)18-8-4-3-5-15(21)20-23/h6-7,9-10,23H,3-5,8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166630119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).