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

C18H20F3N3O4S — CID 166636297

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NO
InChIInChI=1S/C18H20F3N3O4S/c19-18(20,21)28-13-8-6-12(7-9-13)17-23-11-14(29-17)16(26)22-10-4-2-1-3-5-15(25)24-27/h6-9,11,27H,1-5,10H2,(H,22,26)(H,24,25)
InChIKeyOHURUPXDOHCYCM-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.89
Rot. Bonds10

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

N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 166636297) has the molecular formula C18H20F3N3O4S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID166636297
Molecular FormulaC18H20F3N3O4S
Molecular Weight431.44 g/mol
Exact Mass431.11
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NO
InChIInChI=1S/C18H20F3N3O4S/c19-18(20,21)28-13-8-6-12(7-9-13)17-23-11-14(29-17)16(26)22-10-4-2-1-3-5-15(25)24-27/h6-9,11,27H,1-5,10H2,(H,22,26)(H,24,25)
InChIKeyOHURUPXDOHCYCM-UHFFFAOYSA-N
XLogP3.89
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.89
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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Related Compounds

2-(2,4-Dimethoxyphenyl)-N-(7-(hydroxyamino)-7-oxoheptyl)thiazole-5-carboxamide
CID 162679245
2-Methyl-2-[4-[[(2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid
CID 44419009
(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166626112
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166626290
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
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
2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide
CID 166635280

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (CID 166636297) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OHURUPXDOHCYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4S/c19-18(20,21)28-13-8-6-12(7-9-13)17-23-11-14(29-17)16(26)22-10-4-2-1-3-5-15(25)24-27/h6-9,11,27H,1-5,10H2,(H,22,26)(H,24,25).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.89, 10 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-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166636297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).