N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide

C11H12N4O2S — CID 135988105

IUPACN'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide
SMILESCc1ccc(Nc2s[nH]c(=O)c2/C(N)=N/O)cc1
InChIInChI=1S/C11H12N4O2S/c1-6-2-4-7(5-3-6)13-11-8(9(12)14-17)10(16)15-18-11/h2-5,13,17H,1H3,(H2,12,14)(H,15,16)
InChIKeyABPNIXLAGUMYGJ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.58
Rot. Bonds3

About N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide

N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide (PubChem CID 135988105) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide
PubChem CID135988105
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide
SMILESCc1ccc(Nc2s[nH]c(=O)c2/C(N)=N/O)cc1
InChIInChI=1S/C11H12N4O2S/c1-6-2-4-7(5-3-6)13-11-8(9(12)14-17)10(16)15-18-11/h2-5,13,17H,1H3,(H2,12,14)(H,15,16)
InChIKeyABPNIXLAGUMYGJ-UHFFFAOYSA-N
XLogP1.58
TPSA103.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.58
H-Bond Donors ≤ 54
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'}

Analyze N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide (CID 135988105) is N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide is Cc1ccc(Nc2s[nH]c(=O)c2/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide?
The InChIKey is ABPNIXLAGUMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-2-4-7(5-3-6)13-11-8(9(12)14-17)10(16)15-18-11/h2-5,13,17H,1H3,(H2,12,14)(H,15,16).
What are the key properties of N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide?
N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide has a molecular weight of 264.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 135988105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).