1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine

C15H14N2O3S2 — CID 75608323

IUPAC1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine
SMILESCOc1cc2nc(N=Cc3cccs3)sc2c(OC)c1OC
InChIInChI=1S/C15H14N2O3S2/c1-18-11-7-10-14(13(20-3)12(11)19-2)22-15(17-10)16-8-9-5-4-6-21-9/h4-8H,1-3H3
InChIKeyGRYZKUSYASYDEX-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.13
Rot. Bonds5

About 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine

1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine (PubChem CID 75608323) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine
PubChem CID75608323
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine
SMILESCOc1cc2nc(N=Cc3cccs3)sc2c(OC)c1OC
InChIInChI=1S/C15H14N2O3S2/c1-18-11-7-10-14(13(20-3)12(11)19-2)22-15(17-10)16-8-9-5-4-6-21-9/h4-8H,1-3H3
InChIKeyGRYZKUSYASYDEX-UHFFFAOYSA-N
XLogP4.13
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine?
The IUPAC name of 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine (CID 75608323) is 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine?
The canonical SMILES for 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine is COc1cc2nc(N=Cc3cccs3)sc2c(OC)c1OC.
What is the InChIKey of 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine?
The InChIKey is GRYZKUSYASYDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-18-11-7-10-14(13(20-3)12(11)19-2)22-15(17-10)16-8-9-5-4-6-21-9/h4-8H,1-3H3.
What are the key properties of 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine?
1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine has a molecular weight of 334.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine is sourced from PubChem (CID 75608323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).