(E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine

C20H16N4OS — CID 6902593

IUPAC(E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC(=N/n1c(-c2ccco2)cs/c1=N\Cc1ccccc1)\c1cccnc1
InChIInChI=1S/C20H16N4OS/c1-2-6-16(7-3-1)13-22-20-24(23-14-17-8-4-10-21-12-17)18(15-26-20)19-9-5-11-25-19/h1-12,14-15H,13H2/b22-20-,23-14+
InChIKeyQXNAASZXQFHCKG-QCJFIOECSA-N
MW360.44 g/mol
LogP4.19
Rot. Bonds5

About (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine

(E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6902593) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6902593
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name(E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC(=N/n1c(-c2ccco2)cs/c1=N\Cc1ccccc1)\c1cccnc1
InChIInChI=1S/C20H16N4OS/c1-2-6-16(7-3-1)13-22-20-24(23-14-17-8-4-10-21-12-17)18(15-26-20)19-9-5-11-25-19/h1-12,14-15H,13H2/b22-20-,23-14+
InChIKeyQXNAASZXQFHCKG-QCJFIOECSA-N
XLogP4.19
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6902593) is (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is C(=N/n1c(-c2ccco2)cs/c1=N\Cc1ccccc1)\c1cccnc1.
What is the InChIKey of (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is QXNAASZXQFHCKG-QCJFIOECSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-2-6-16(7-3-1)13-22-20-24(23-14-17-8-4-10-21-12-17)18(15-26-20)19-9-5-11-25-19/h1-12,14-15H,13H2/b22-20-,23-14+.
What are the key properties of (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 360.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-(furan-2-yl)-3-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6902593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).