4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

C19H16N4OS — CID 23939933

IUPAC4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cc3ccccc3o2)n1N=Cc1ccncc1
InChIInChI=1S/C19H16N4OS/c1-2-21-19-23(22-12-14-7-9-20-10-8-14)16(13-25-19)18-11-15-5-3-4-6-17(15)24-18/h3-13H,2H2,1H3/b21-19-,22-12?
InChIKeyLLKUBPMNYBTZQZ-UCTLZQNBSA-N
MW348.43 g/mol
LogP4.16
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23939933) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23939933
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cc3ccccc3o2)n1N=Cc1ccncc1
InChIInChI=1S/C19H16N4OS/c1-2-21-19-23(22-12-14-7-9-20-10-8-14)16(13-25-19)18-11-15-5-3-4-6-17(15)24-18/h3-13H,2H2,1H3/b21-19-,22-12?
InChIKeyLLKUBPMNYBTZQZ-UCTLZQNBSA-N
XLogP4.16
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1-benzofuran-2-yl)-3-(benzylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23878562
4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23875494
4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993224
2-[[4-(1-benzofuran-2-yl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135814437
4-[[4-(1-benzofuran-2-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135548999
4-(1-benzofuran-2-yl)-N-prop-2-enyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23906383
4-(1-benzofuran-2-yl)-3-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-N-ethyl-1,3-thiazol-2-imine
CID 23798097
4-(1-benzofuran-2-yl)-3-[(3,4-dimethoxyphenyl)methylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23734737
4-(1-benzofuran-2-yl)-N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2339004
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23912014
4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2448029

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23939933) is 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cc3ccccc3o2)n1N=Cc1ccncc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is LLKUBPMNYBTZQZ-UCTLZQNBSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-2-21-19-23(22-12-14-7-9-20-10-8-14)16(13-25-19)18-11-15-5-3-4-6-17(15)24-18/h3-13H,2H2,1H3/b21-19-,22-12?.
What are the key properties of 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 348.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23939933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).