N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide

C6H9N3O2S — CID 83876786

IUPACN'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide
SMILESCOc1nc(C)c(/C(N)=N\O)s1
InChIInChI=1S/C6H9N3O2S/c1-3-4(5(7)9-10)12-6(8-3)11-2/h10H,1-2H3,(H2,7,9)
InChIKeyOTXLNXBSGGMYTH-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.55
Rot. Bonds2

About N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide

N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide (PubChem CID 83876786) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide
PubChem CID83876786
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide
SMILESCOc1nc(C)c(/C(N)=N\O)s1
InChIInChI=1S/C6H9N3O2S/c1-3-4(5(7)9-10)12-6(8-3)11-2/h10H,1-2H3,(H2,7,9)
InChIKeyOTXLNXBSGGMYTH-UHFFFAOYSA-N
XLogP0.55
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.55
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 N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide (CID 83876786) is N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide is COc1nc(C)c(/C(N)=N\O)s1.
What is the InChIKey of N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide?
The InChIKey is OTXLNXBSGGMYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-3-4(5(7)9-10)12-6(8-3)11-2/h10H,1-2H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide?
N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide has a molecular weight of 187.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-4-methyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 83876786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).