N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine

C20H16N2OS2 — CID 2354359

IUPACN-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine
SMILESC(=Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccco1
InChIInChI=1S/C20H16N2OS2/c1-3-9-16-14(7-1)18(19(24-16)21-12-13-6-5-11-23-13)20-22-15-8-2-4-10-17(15)25-20/h2,4-6,8,10-12H,1,3,7,9H2
InChIKeyWVZWLAZPOVLARS-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.25
Rot. Bonds3

About N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine

N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine (PubChem CID 2354359) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine
PubChem CID2354359
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine
SMILESC(=Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccco1
InChIInChI=1S/C20H16N2OS2/c1-3-9-16-14(7-1)18(19(24-16)21-12-13-6-5-11-23-13)20-22-15-8-2-4-10-17(15)25-20/h2,4-6,8,10-12H,1,3,7,9H2
InChIKeyWVZWLAZPOVLARS-UHFFFAOYSA-N
XLogP6.25
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(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-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine (CID 2354359) is N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine is C(=Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccco1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine?
The InChIKey is WVZWLAZPOVLARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-3-9-16-14(7-1)18(19(24-16)21-12-13-6-5-11-23-13)20-22-15-8-2-4-10-17(15)25-20/h2,4-6,8,10-12H,1,3,7,9H2.
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine?
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine has a molecular weight of 364.50 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-2-yl)methanimine is sourced from PubChem (CID 2354359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).