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

C20H27N3O6S — CID 166626290

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O6S/c1-27-14-10-13(11-15(28-2)18(14)29-3)20-22-12-16(30-20)19(25)21-9-7-5-4-6-8-17(24)23-26/h10-12,26H,4-9H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyRHJGTOMAWYAOCO-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.02
Rot. Bonds12

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

N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 166626290) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID166626290
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O6S/c1-27-14-10-13(11-15(28-2)18(14)29-3)20-22-12-16(30-20)19(25)21-9-7-5-4-6-8-17(24)23-26/h10-12,26H,4-9H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyRHJGTOMAWYAOCO-UHFFFAOYSA-N
XLogP3.02
TPSA119.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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
(E)-N-(2-aminophenyl)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166625808
(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
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
2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166635271

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 166626290) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is COc1cc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)cc(OC)c1OC.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RHJGTOMAWYAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c1-27-14-10-13(11-15(28-2)18(14)29-3)20-22-12-16(30-20)19(25)21-9-7-5-4-6-8-17(24)23-26/h10-12,26H,4-9H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.02, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166626290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).