N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C10H9N3O5S — CID 103894405

IUPACN-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CS1
InChIInChI=1S/C10H9N3O5S/c14-8-2-1-5(13(17)18)3-6(8)11-9(15)7-4-19-10(16)12-7/h1-3,7,14H,4H2,(H,11,15)(H,12,16)
InChIKeyHHNIZHSSMQJDPX-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.06
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 103894405) has the molecular formula C10H9N3O5S and a molecular weight of 283.26 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID103894405
Molecular FormulaC10H9N3O5S
Molecular Weight283.26 g/mol
Exact Mass283.03
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CS1
InChIInChI=1S/C10H9N3O5S/c14-8-2-1-5(13(17)18)3-6(8)11-9(15)7-4-19-10(16)12-7/h1-3,7,14H,4H2,(H,11,15)(H,12,16)
InChIKeyHHNIZHSSMQJDPX-UHFFFAOYSA-N
XLogP1.06
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
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CID 103604595
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103602356
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide
CID 103894364
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
4-nitro-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63110780
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-chloro-5-nitrophenyl)thiomorpholine-3-carboxamide
CID 82909107

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 103894405) is N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CS1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is HHNIZHSSMQJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S/c14-8-2-1-5(13(17)18)3-6(8)11-9(15)7-4-19-10(16)12-7/h1-3,7,14H,4H2,(H,11,15)(H,12,16).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 283.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103894405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).