N'-(5-nitro-1,3-thiazol-2-yl)oxamide

C5H4N4O4S — CID 154090564

IUPACN'-(5-nitro-1,3-thiazol-2-yl)oxamide
SMILESNC(=O)C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C5H4N4O4S/c6-3(10)4(11)8-5-7-1-2(14-5)9(12)13/h1H,(H2,6,10)(H,7,8,11)
InChIKeyARDLKZNXLFJYDQ-UHFFFAOYSA-N
MW216.18 g/mol
LogP-0.52
Rot. Bonds2

About N'-(5-nitro-1,3-thiazol-2-yl)oxamide

N'-(5-nitro-1,3-thiazol-2-yl)oxamide (PubChem CID 154090564) has the molecular formula C5H4N4O4S and a molecular weight of 216.18 g/mol. Its IUPAC name is N'-(5-nitro-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-(5-nitro-1,3-thiazol-2-yl)oxamide
PubChem CID154090564
Molecular FormulaC5H4N4O4S
Molecular Weight216.18 g/mol
Exact Mass216.00
IUPAC NameN'-(5-nitro-1,3-thiazol-2-yl)oxamide
SMILESNC(=O)C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C5H4N4O4S/c6-3(10)4(11)8-5-7-1-2(14-5)9(12)13/h1H,(H2,6,10)(H,7,8,11)
InChIKeyARDLKZNXLFJYDQ-UHFFFAOYSA-N
XLogP-0.52
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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'-(5-nitro-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N'-(5-nitro-1,3-thiazol-2-yl)oxamide (CID 154090564) is N'-(5-nitro-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N'-(5-nitro-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N'-(5-nitro-1,3-thiazol-2-yl)oxamide is NC(=O)C(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N'-(5-nitro-1,3-thiazol-2-yl)oxamide?
The InChIKey is ARDLKZNXLFJYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O4S/c6-3(10)4(11)8-5-7-1-2(14-5)9(12)13/h1H,(H2,6,10)(H,7,8,11).
What are the key properties of N'-(5-nitro-1,3-thiazol-2-yl)oxamide?
N'-(5-nitro-1,3-thiazol-2-yl)oxamide has a molecular weight of 216.18 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 154090564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).