N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide

C11H11N3S — CID 63365254

IUPACN'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1cscn1)c1ccccc1
InChIInChI=1S/C11H11N3S/c12-11(9-4-2-1-3-5-9)13-6-10-7-15-8-14-10/h1-5,7-8H,6H2,(H2,12,13)
InChIKeyZTXVGTLLPPGVBS-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.05
Rot. Bonds3

About N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide

N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide (PubChem CID 63365254) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide
PubChem CID63365254
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC NameN'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1cscn1)c1ccccc1
InChIInChI=1S/C11H11N3S/c12-11(9-4-2-1-3-5-9)13-6-10-7-15-8-14-10/h1-5,7-8H,6H2,(H2,12,13)
InChIKeyZTXVGTLLPPGVBS-UHFFFAOYSA-N
XLogP2.05
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide 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'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide (CID 63365254) is N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide is N/C(=N\Cc1cscn1)c1ccccc1.
What is the InChIKey of N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide?
The InChIKey is ZTXVGTLLPPGVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c12-11(9-4-2-1-3-5-9)13-6-10-7-15-8-14-10/h1-5,7-8H,6H2,(H2,12,13).
What are the key properties of N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide?
N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide has a molecular weight of 217.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 63365254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).