2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide

C15H17N3O3S — CID 53257804

IUPAC2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCC(C)(Cc1ccccc1)C(=O)Nc1ncc(C(=O)NO)s1
InChIInChI=1S/C15H17N3O3S/c1-15(2,8-10-6-4-3-5-7-10)13(20)17-14-16-9-11(22-14)12(19)18-21/h3-7,9,21H,8H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyWRUPTWUAMIVSTD-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.47
Rot. Bonds5

About 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide

2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 53257804) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID53257804
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCC(C)(Cc1ccccc1)C(=O)Nc1ncc(C(=O)NO)s1
InChIInChI=1S/C15H17N3O3S/c1-15(2,8-10-6-4-3-5-7-10)13(20)17-14-16-9-11(22-14)12(19)18-21/h3-7,9,21H,8H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyWRUPTWUAMIVSTD-UHFFFAOYSA-N
XLogP2.47
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.47
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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Related Compounds

N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257808
N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257806
2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122693201
2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
CID 156507445
2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide
CID 119687594
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257805
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11631108
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid
CID 106280433
2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 123152203
2-(3-phenylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80572360
2,2-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 4634913
tert-butyl N-(5-carbonochloridoyl-1,3-thiazol-2-yl)carbamate
CID 45117870

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 53257804) is 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide is CC(C)(Cc1ccccc1)C(=O)Nc1ncc(C(=O)NO)s1.
What is the InChIKey of 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is WRUPTWUAMIVSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-15(2,8-10-6-4-3-5-7-10)13(20)17-14-16-9-11(22-14)12(19)18-21/h3-7,9,21H,8H2,1-2H3,(H,18,19)(H,16,17,20).
What are the key properties of 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53257804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).