N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide

C4H4N4O3S — CID 119091322

IUPACN'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide
SMILESN/C(=N\O)c1cnc([N+](=O)[O-])s1
InChIInChI=1S/C4H4N4O3S/c5-3(7-9)2-1-6-4(12-2)8(10)11/h1,9H,(H2,5,7)
InChIKeyMLNPWLLLTCKVGW-UHFFFAOYSA-N
MW188.17 g/mol
LogP0.15
Rot. Bonds2

About N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide

N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide (PubChem CID 119091322) has the molecular formula C4H4N4O3S and a molecular weight of 188.17 g/mol. Its IUPAC name is N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide
PubChem CID119091322
Molecular FormulaC4H4N4O3S
Molecular Weight188.17 g/mol
Exact Mass188.00
IUPAC NameN'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide
SMILESN/C(=N\O)c1cnc([N+](=O)[O-])s1
InChIInChI=1S/C4H4N4O3S/c5-3(7-9)2-1-6-4(12-2)8(10)11/h1,9H,(H2,5,7)
InChIKeyMLNPWLLLTCKVGW-UHFFFAOYSA-N
XLogP0.15
TPSA114.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-1,3-thiazol-5-amine
CID 15238445
2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide
CID 83876677
3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
CID 169161773
2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79755848
bis[(2-nitro-1,3-thiazol-5-yl)methyl] phosphate
CID 118541597
N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide
CID 103471011
4-[(5-bromo-2-pyridinyl)sulfanyl]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 77025014
N'-hydroxy-1,3-thiazole-5-carboximidamide
CID 55281090
[(5-nitro-1,3-thiazol-2-yl)methylideneamino]thiourea
CID 3008054
N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide
CID 136990849
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 76935233

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide (CID 119091322) is N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide is N/C(=N\O)c1cnc([N+](=O)[O-])s1.
What is the InChIKey of N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide?
The InChIKey is MLNPWLLLTCKVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3S/c5-3(7-9)2-1-6-4(12-2)8(10)11/h1,9H,(H2,5,7).
What are the key properties of N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide?
N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide has a molecular weight of 188.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-nitro-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 119091322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).