N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide

C13H13N3O3S — CID 53257808

IUPACN-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ncc(C(=O)NO)s1
InChIInChI=1S/C13H13N3O3S/c17-11(7-6-9-4-2-1-3-5-9)15-13-14-8-10(20-13)12(18)16-19/h1-5,8,19H,6-7H2,(H,16,18)(H,14,15,17)
InChIKeyIFRXQKQFURYLNV-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.83
Rot. Bonds5

About N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide

N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide (PubChem CID 53257808) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
PubChem CID53257808
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ncc(C(=O)NO)s1
InChIInChI=1S/C13H13N3O3S/c17-11(7-6-9-4-2-1-3-5-9)15-13-14-8-10(20-13)12(18)16-19/h1-5,8,19H,6-7H2,(H,16,18)(H,14,15,17)
InChIKeyIFRXQKQFURYLNV-UHFFFAOYSA-N
XLogP1.83
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.83
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-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 88549047
2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257804
methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
CID 18121924
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
CID 156507445
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257806
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3961443

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide (CID 53257808) is N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide is O=C(CCc1ccccc1)Nc1ncc(C(=O)NO)s1.
What is the InChIKey of N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is IFRXQKQFURYLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-11(7-6-9-4-2-1-3-5-9)15-13-14-8-10(20-13)12(18)16-19/h1-5,8,19H,6-7H2,(H,16,18)(H,14,15,17).
What are the key properties of N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide?
N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53257808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).