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

C13H13N3O3S — CID 53257806

IUPACN-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C(=O)Nc1ncc(C(=O)NO)s1)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-8(9-5-3-2-4-6-9)11(17)15-13-14-7-10(20-13)12(18)16-19/h2-8,19H,1H3,(H,16,18)(H,14,15,17)
InChIKeyQKRSWUXGYLGYJC-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.00
Rot. Bonds4

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

N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide (PubChem CID 53257806) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
PubChem CID53257806
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C(=O)Nc1ncc(C(=O)NO)s1)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-8(9-5-3-2-4-6-9)11(17)15-13-14-7-10(20-13)12(18)16-19/h2-8,19H,1H3,(H,16,18)(H,14,15,17)
InChIKeyQKRSWUXGYLGYJC-UHFFFAOYSA-N
XLogP2.00
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.00
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

2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257805
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257808
2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257804
(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 87884959
(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 156853166
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 3979206
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 78828454
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 86902852
2-acetamido-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170708
N-(6-amino-3-pyridinyl)-2-phenylpropanamide
CID 114028846

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide (CID 53257806) is N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide is CC(C(=O)Nc1ncc(C(=O)NO)s1)c1ccccc1.
What is the InChIKey of N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QKRSWUXGYLGYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8(9-5-3-2-4-6-9)11(17)15-13-14-7-10(20-13)12(18)16-19/h2-8,19H,1H3,(H,16,18)(H,14,15,17).
What are the key properties of N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide?
N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53257806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).