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

C4H5N3OS — CID 55281090

IUPACN'-hydroxy-1,3-thiazole-5-carboximidamide
SMILESN/C(=N/O)c1cncs1
InChIInChI=1S/C4H5N3OS/c5-4(7-8)3-1-6-2-9-3/h1-2,8H,(H2,5,7)
InChIKeyIGFMLVGRROSADX-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.24
Rot. Bonds1

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

N'-hydroxy-1,3-thiazole-5-carboximidamide (PubChem CID 55281090) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is N'-hydroxy-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-thiazole-5-carboximidamide
PubChem CID55281090
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC NameN'-hydroxy-1,3-thiazole-5-carboximidamide
SMILESN/C(=N/O)c1cncs1
InChIInChI=1S/C4H5N3OS/c5-4(7-8)3-1-6-2-9-3/h1-2,8H,(H2,5,7)
InChIKeyIGFMLVGRROSADX-UHFFFAOYSA-N
XLogP0.24
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1,3-thiazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-thiazole-5-carboximidamide (CID 55281090) is N'-hydroxy-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-thiazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-thiazole-5-carboximidamide is N/C(=N/O)c1cncs1.
What is the InChIKey of N'-hydroxy-1,3-thiazole-5-carboximidamide?
The InChIKey is IGFMLVGRROSADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c5-4(7-8)3-1-6-2-9-3/h1-2,8H,(H2,5,7).
What are the key properties of N'-hydroxy-1,3-thiazole-5-carboximidamide?
N'-hydroxy-1,3-thiazole-5-carboximidamide has a molecular weight of 143.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 55281090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).