N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine

C10H9BrN2O2S — CID 23762150

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
SMILESCOCc1ccc(C=Nc2ncc(Br)s2)o1
InChIInChI=1S/C10H9BrN2O2S/c1-14-6-8-3-2-7(15-8)4-12-10-13-5-9(11)16-10/h2-5H,6H2,1H3
InChIKeyZVVUZRZVRUEZJA-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.40
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine

N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine (PubChem CID 23762150) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
PubChem CID23762150
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
SMILESCOCc1ccc(C=Nc2ncc(Br)s2)o1
InChIInChI=1S/C10H9BrN2O2S/c1-14-6-8-3-2-7(15-8)4-12-10-13-5-9(11)16-10/h2-5H,6H2,1H3
InChIKeyZVVUZRZVRUEZJA-UHFFFAOYSA-N
XLogP3.40
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine 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-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine (CID 23762150) is N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine is COCc1ccc(C=Nc2ncc(Br)s2)o1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine?
The InChIKey is ZVVUZRZVRUEZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-14-6-8-3-2-7(15-8)4-12-10-13-5-9(11)16-10/h2-5H,6H2,1H3.
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine?
N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine has a molecular weight of 301.17 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine is sourced from PubChem (CID 23762150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).