2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide

C6H10N4OS — CID 83876677

IUPAC2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide
SMILESCN(C)c1ncc(/C(N)=N\O)s1
InChIInChI=1S/C6H10N4OS/c1-10(2)6-8-3-4(12-6)5(7)9-11/h3,11H,1-2H3,(H2,7,9)
InChIKeyARORZMMKFNGNCC-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.30
Rot. Bonds2

About 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide

2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide (PubChem CID 83876677) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide
PubChem CID83876677
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide
SMILESCN(C)c1ncc(/C(N)=N\O)s1
InChIInChI=1S/C6H10N4OS/c1-10(2)6-8-3-4(12-6)5(7)9-11/h3,11H,1-2H3,(H2,7,9)
InChIKeyARORZMMKFNGNCC-UHFFFAOYSA-N
XLogP0.30
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide (CID 83876677) is 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide is CN(C)c1ncc(/C(N)=N\O)s1.
What is the InChIKey of 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide?
The InChIKey is ARORZMMKFNGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-10(2)6-8-3-4(12-6)5(7)9-11/h3,11H,1-2H3,(H2,7,9).
What are the key properties of 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide?
2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide has a molecular weight of 186.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 83876677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).