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

C6H9N3OS — CID 7364003

IUPACN'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCc1csc(C/C(N)=N/O)n1
InChIInChI=1S/C6H9N3OS/c1-4-3-11-6(8-4)2-5(7)9-10/h3,10H,2H2,1H3,(H2,7,9)
InChIKeyWHPVEWYQDWITBW-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.74
Rot. Bonds2

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

N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide (PubChem CID 7364003) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
PubChem CID7364003
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC NameN'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCc1csc(C/C(N)=N/O)n1
InChIInChI=1S/C6H9N3OS/c1-4-3-11-6(8-4)2-5(7)9-10/h3,10H,2H2,1H3,(H2,7,9)
InChIKeyWHPVEWYQDWITBW-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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide (CID 7364003) is N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide is Cc1csc(C/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The InChIKey is WHPVEWYQDWITBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-3-11-6(8-4)2-5(7)9-10/h3,10H,2H2,1H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
N'-hydroxy-2-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)ethanimidamide is sourced from PubChem (CID 7364003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).