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

C20H17N3O2S — CID 6902640

IUPAC(E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESC(=N/n1c(-c2ccco2)cs/c1=N\CCc1ccccc1)\c1ccco1
InChIInChI=1S/C20H17N3O2S/c1-2-6-16(7-3-1)10-11-21-20-23(22-14-17-8-4-12-24-17)18(15-26-20)19-9-5-13-25-19/h1-9,12-15H,10-11H2/b21-20-,22-14+
InChIKeyJXBMTCILOXKSFL-PDNCBJBZSA-N
MW363.44 g/mol
LogP4.43
Rot. Bonds6

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

(E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 6902640) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is (E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID6902640
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name(E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESC(=N/n1c(-c2ccco2)cs/c1=N\CCc1ccccc1)\c1ccco1
InChIInChI=1S/C20H17N3O2S/c1-2-6-16(7-3-1)10-11-21-20-23(22-14-17-8-4-12-24-17)18(15-26-20)19-9-5-13-25-19/h1-9,12-15H,10-11H2/b21-20-,22-14+
InChIKeyJXBMTCILOXKSFL-PDNCBJBZSA-N
XLogP4.43
TPSA55.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.43
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)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine (CID 6902640) is (E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine is C(=N/n1c(-c2ccco2)cs/c1=N\CCc1ccccc1)\c1ccco1.
What is the InChIKey of (E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is JXBMTCILOXKSFL-PDNCBJBZSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-6-16(7-3-1)10-11-21-20-23(22-14-17-8-4-12-24-17)18(15-26-20)19-9-5-13-25-19/h1-9,12-15H,10-11H2/b21-20-,22-14+.
What are the key properties of (E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine?
(E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 363.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 6902640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).