N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine

C16H16N2O3S — CID 23828703

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
SMILESCCOc1ccc2nc(N=Cc3ccc(COC)o3)sc2c1
InChIInChI=1S/C16H16N2O3S/c1-3-20-11-6-7-14-15(8-11)22-16(18-14)17-9-12-4-5-13(21-12)10-19-2/h4-9H,3,10H2,1-2H3
InChIKeyLGYOTZIVXYEDAR-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.18
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine (PubChem CID 23828703) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
PubChem CID23828703
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
SMILESCCOc1ccc2nc(N=Cc3ccc(COC)o3)sc2c1
InChIInChI=1S/C16H16N2O3S/c1-3-20-11-6-7-14-15(8-11)22-16(18-14)17-9-12-4-5-13(21-12)10-19-2/h4-9H,3,10H2,1-2H3
InChIKeyLGYOTZIVXYEDAR-UHFFFAOYSA-N
XLogP4.18
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-ethoxy-1,3-benzothiazol-2-yl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3681797
1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine
CID 23828306
4-[(E)-(6-ethoxy-1,3-benzothiazol-2-yl)iminomethyl]-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one
CID 135478006
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
[4-(6-bromohexoxy)phenyl]-(6-ethoxy-1,3-benzothiazol-2-yl)diazene
CID 102525993
[4-(10-bromodecoxy)phenyl]-(6-ethoxy-1,3-benzothiazol-2-yl)diazene
CID 102525998
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylaniline
CID 79511111
(E)-3-(5-bromofuran-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 2123806
6-ethoxy-2-methylsulfinyl-1,3-benzothiazole
CID 119089586
2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine (CID 23828703) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine is CCOc1ccc2nc(N=Cc3ccc(COC)o3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine?
The InChIKey is LGYOTZIVXYEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-20-11-6-7-14-15(8-11)22-16(18-14)17-9-12-4-5-13(21-12)10-19-2/h4-9H,3,10H2,1-2H3.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine has a molecular weight of 316.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine is sourced from PubChem (CID 23828703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).