5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide

C5H4N2O3S — CID 10535215

IUPAC5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc([15N+](=O)[O-])c1
InChIInChI=1S/C5H4N2O3S/c6-5(8)3-1-4(7(9)10)11-2-3/h1-2H,(H2,6,8)/i7+1
InChIKeyAILAVJFBFWLVHF-CDYZYAPPSA-N
MW173.16 g/mol
LogP0.76
Rot. Bonds2

About 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide

5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide (PubChem CID 10535215) has the molecular formula C5H4N2O3S and a molecular weight of 173.16 g/mol. Its IUPAC name is 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide
PubChem CID10535215
Molecular FormulaC5H4N2O3S
Molecular Weight173.16 g/mol
Exact Mass172.99
IUPAC Name5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc([15N+](=O)[O-])c1
InChIInChI=1S/C5H4N2O3S/c6-5(8)3-1-4(7(9)10)11-2-3/h1-2H,(H2,6,8)/i7+1
InChIKeyAILAVJFBFWLVHF-CDYZYAPPSA-N
XLogP0.76
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-nitrothiophene-3-carboxylate
CID 6975462
carbamoyl 5-nitrothiophene-3-carboxylate
CID 175003959
[(E)-[amino-(5-nitrothiophen-3-yl)methylidene]amino] acetate
CID 6376050
4-(5-nitrothiophen-3-yl)-4-oxobutanenitrile
CID 60811033
[[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 5-nitrothiophene-3-carboxylate
CID 2740097
[(E)-[amino-(5-nitrothiophen-3-yl)methylidene]amino] N-(4-nitrophenyl)carbamate
CID 169132534
5-nitro-N-(propan-2-ylcarbamoyl)thiophene-3-carboxamide
CID 23959647
N-(1-amino-2,3-dimethylbutan-2-yl)-5-nitrothiophene-3-carboxamide
CID 81487252
N-(2-amino-5-fluorophenyl)-5-nitrothiophene-3-carboxamide
CID 55168020
3,5-dinitrobenzamide;hydrochloride
CID 172864761
5-chlorothiophene-3-carboxamide
CID 818858
N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide
CID 78885714

Frequently Asked Questions

What is the IUPAC name of 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide?
The IUPAC name of 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide (CID 10535215) is 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide is NC(=O)c1csc([15N+](=O)[O-])c1.
What is the InChIKey of 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide?
The InChIKey is AILAVJFBFWLVHF-CDYZYAPPSA-N. The full InChI is InChI=1S/C5H4N2O3S/c6-5(8)3-1-4(7(9)10)11-2-3/h1-2H,(H2,6,8)/i7+1.
What are the key properties of 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide?
5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide has a molecular weight of 173.16 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide is sourced from PubChem (CID 10535215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).