4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

C19H14N4OS — CID 23768904

IUPAC4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC(=Nn1c(-c2ccco2)cs/c1=N\c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14N4OS/c1-2-7-15(8-3-1)22-19-23(21-13-16-9-4-5-11-20-16)17(14-25-19)18-10-6-12-24-18/h1-14H/b21-13?,22-19-
InChIKeyOHZVPRDNUUEBBB-ANLQNFMCSA-N
MW346.42 g/mol
LogP4.32
Rot. Bonds4

About 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23768904) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23768904
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC(=Nn1c(-c2ccco2)cs/c1=N\c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14N4OS/c1-2-7-15(8-3-1)22-19-23(21-13-16-9-4-5-11-20-16)17(14-25-19)18-10-6-12-24-18/h1-14H/b21-13?,22-19-
InChIKeyOHZVPRDNUUEBBB-ANLQNFMCSA-N
XLogP4.32
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.32
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 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23768904) is 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is C(=Nn1c(-c2ccco2)cs/c1=N\c1ccccc1)c1ccccn1.
What is the InChIKey of 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is OHZVPRDNUUEBBB-ANLQNFMCSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-2-7-15(8-3-1)22-19-23(21-13-16-9-4-5-11-20-16)17(14-25-19)18-10-6-12-24-18/h1-14H/b21-13?,22-19-.
What are the key properties of 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 346.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23768904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).