N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine

C19H21N3OS — CID 4014518

IUPACN-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(C)o1
InChIInChI=1S/C19H21N3OS/c1-5-20-19-22(21-15(4)18-11-8-14(3)23-18)17(12-24-19)16-9-6-13(2)7-10-16/h6-12H,5H2,1-4H3/b20-19-,21-15?
InChIKeyJOCWPNFFVVKIRQ-JXOAEDSTSA-N
MW339.46 g/mol
LogP4.62
Rot. Bonds4

About N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine

N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 4014518) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID4014518
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(C)o1
InChIInChI=1S/C19H21N3OS/c1-5-20-19-22(21-15(4)18-11-8-14(3)23-18)17(12-24-19)16-9-6-13(2)7-10-16/h6-12H,5H2,1-4H3/b20-19-,21-15?
InChIKeyJOCWPNFFVVKIRQ-JXOAEDSTSA-N
XLogP4.62
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 4014518) is N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(C)o1.
What is the InChIKey of N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is JOCWPNFFVVKIRQ-JXOAEDSTSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-5-20-19-22(21-15(4)18-11-8-14(3)23-18)17(12-24-19)16-9-6-13(2)7-10-16/h6-12H,5H2,1-4H3/b20-19-,21-15?.
What are the key properties of N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 339.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 4014518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).