N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C22H20F3N3O3S — CID 76780212

IUPACN-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1nc(C(F)(F)F)c(C(=O)NO)s1
InChIInChI=1S/C22H20F3N3O3S/c1-12(2)16(21-27-18(22(23,24)25)17(32-21)20(30)28-31)26-19(29)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,31H,1-2H3,(H,26,29)(H,28,30)
InChIKeyZTTOCNDBJYESTH-UHFFFAOYSA-N
MW463.48 g/mol
LogP5.07
Rot. Bonds6

About N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 76780212) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID76780212
Molecular FormulaC22H20F3N3O3S
Molecular Weight463.48 g/mol
Exact Mass463.12
IUPAC NameN-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1nc(C(F)(F)F)c(C(=O)NO)s1
InChIInChI=1S/C22H20F3N3O3S/c1-12(2)16(21-27-18(22(23,24)25)17(32-21)20(30)28-31)26-19(29)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,31H,1-2H3,(H,26,29)(H,28,30)
InChIKeyZTTOCNDBJYESTH-UHFFFAOYSA-N
XLogP5.07
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.48
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 76780212) is N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1nc(C(F)(F)F)c(C(=O)NO)s1.
What is the InChIKey of N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZTTOCNDBJYESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c1-12(2)16(21-27-18(22(23,24)25)17(32-21)20(30)28-31)26-19(29)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,31H,1-2H3,(H,26,29)(H,28,30).
What are the key properties of N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 463.48 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 76780212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).