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

C19H25N3O5S — CID 162679245

IUPAC2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c(OC)c1
InChIInChI=1S/C19H25N3O5S/c1-26-13-8-9-14(15(11-13)27-2)19-21-12-16(28-19)18(24)20-10-6-4-3-5-7-17(23)22-25/h8-9,11-12,25H,3-7,10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyKPMUSOQFDJSLDU-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.01
Rot. Bonds11

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

2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 162679245) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID162679245
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c(OC)c1
InChIInChI=1S/C19H25N3O5S/c1-26-13-8-9-14(15(11-13)27-2)19-21-12-16(28-19)18(24)20-10-6-4-3-5-7-17(23)22-25/h8-9,11-12,25H,3-7,10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyKPMUSOQFDJSLDU-UHFFFAOYSA-N
XLogP3.01
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.01
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-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 162679245) is 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KPMUSOQFDJSLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-26-13-8-9-14(15(11-13)27-2)19-21-12-16(28-19)18(24)20-10-6-4-3-5-7-17(23)22-25/h8-9,11-12,25H,3-7,10H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 3.01, 11 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-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162679245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).