N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide

C13H16N4OS2 — CID 99697530

IUPACN'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCc1csc(C/C(N)=N\OCc2csc(C3CC3)n2)n1
InChIInChI=1S/C13H16N4OS2/c1-8-6-19-12(15-8)4-11(14)17-18-5-10-7-20-13(16-10)9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,14,17)
InChIKeyHWNQGVXBHRXJNK-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.82
Rot. Bonds6

About N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide

N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide (PubChem CID 99697530) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
PubChem CID99697530
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCc1csc(C/C(N)=N\OCc2csc(C3CC3)n2)n1
InChIInChI=1S/C13H16N4OS2/c1-8-6-19-12(15-8)4-11(14)17-18-5-10-7-20-13(16-10)9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,14,17)
InChIKeyHWNQGVXBHRXJNK-UHFFFAOYSA-N
XLogP2.82
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide 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'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The IUPAC name of N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide (CID 99697530) is N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide.
What is the SMILES notation for N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The canonical SMILES for N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide is Cc1csc(C/C(N)=N\OCc2csc(C3CC3)n2)n1.
What is the InChIKey of N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The InChIKey is HWNQGVXBHRXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-8-6-19-12(15-8)4-11(14)17-18-5-10-7-20-13(16-10)9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,14,17).
What are the key properties of N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide has a molecular weight of 308.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide is sourced from PubChem (CID 99697530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).