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

C19H25N3O5S — CID 166635271

IUPAC2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(OC)cc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1
InChIInChI=1S/C19H25N3O5S/c1-26-14-9-13(10-15(11-14)27-2)19-21-12-16(28-19)18(24)20-8-6-4-3-5-7-17(23)22-25/h9-12,25H,3-8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyBIOGSGLOVMYWDH-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.01
Rot. Bonds11

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

2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 166635271) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID166635271
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(OC)cc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1
InChIInChI=1S/C19H25N3O5S/c1-26-14-9-13(10-15(11-14)27-2)19-21-12-16(28-19)18(24)20-8-6-4-3-5-7-17(23)22-25/h9-12,25H,3-8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyBIOGSGLOVMYWDH-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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Related Compounds

2-(2,4-Dimethoxyphenyl)-N-(7-(hydroxyamino)-7-oxoheptyl)thiazole-5-carboxamide
CID 162679245
(E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166625770
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166626290
(E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166628499
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166629132
(E)-N-hydroxy-3-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166629470
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166629491
2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide
CID 166630119
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166630419
(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 166633396
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166633824
2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide
CID 166634212

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 166635271) is 2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is COc1cc(OC)cc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BIOGSGLOVMYWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-26-14-9-13(10-15(11-14)27-2)19-21-12-16(28-19)18(24)20-8-6-4-3-5-7-17(23)22-25/h9-12,25H,3-8H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
2-(3,5-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-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166635271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).