N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide

C6H9N3OS — CID 57374618

IUPACN'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
SMILESCc1nc(CC(N)=NO)cs1
InChIInChI=1S/C6H9N3OS/c1-4-8-5(3-11-4)2-6(7)9-10/h3,10H,2H2,1H3,(H2,7,9)
InChIKeyCBJSFKRUIVTFJQ-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.74
Rot. Bonds2

About N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide

N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide (PubChem CID 57374618) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
PubChem CID57374618
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC NameN'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
SMILESCc1nc(CC(N)=NO)cs1
InChIInChI=1S/C6H9N3OS/c1-4-8-5(3-11-4)2-6(7)9-10/h3,10H,2H2,1H3,(H2,7,9)
InChIKeyCBJSFKRUIVTFJQ-UHFFFAOYSA-N
XLogP0.74
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.74
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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Related Compounds

N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide
CID 76930176
N'-[(3,5-dimethylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76870733
N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76889643
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
4-[(E)-N-hydroxy-C-[(2-methyl-1,3-thiazol-4-yl)methyl]carbonimidoyl]benzene-1,2,3-triol
CID 135688331
N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 75268261
N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76889668
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
CID 106043202
1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 83036330

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide (CID 57374618) is N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide is Cc1nc(CC(N)=NO)cs1.
What is the InChIKey of N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The InChIKey is CBJSFKRUIVTFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-8-5(3-11-4)2-6(7)9-10/h3,10H,2H2,1H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide has a molecular weight of 171.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide is sourced from PubChem (CID 57374618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).