N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine

C14H14N4OS — CID 2459841

IUPACN-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccco2)n1N=Cc1ccc[nH]1
InChIInChI=1S/C14H14N4OS/c1-2-15-14-18(17-9-11-5-3-7-16-11)12(10-20-14)13-6-4-8-19-13/h3-10,16H,2H2,1H3/b15-14-,17-9?
InChIKeyVEJFYGUMFDWIHK-AWPOCNHNSA-N
MW286.36 g/mol
LogP2.94
Rot. Bonds4

About N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine

N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2459841) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2459841
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccco2)n1N=Cc1ccc[nH]1
InChIInChI=1S/C14H14N4OS/c1-2-15-14-18(17-9-11-5-3-7-16-11)12(10-20-14)13-6-4-8-19-13/h3-10,16H,2H2,1H3/b15-14-,17-9?
InChIKeyVEJFYGUMFDWIHK-AWPOCNHNSA-N
XLogP2.94
TPSA58.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135610385
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 135580167
5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 2366096
5-ethoxy-2-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838883
4-(furan-2-yl)-3-(furan-2-ylmethylideneamino)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23907790
N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135573853
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548
4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135721992
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2473772
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
4-[(E)-[4-(furan-2-yl)-2-(3-hydroxypropylimino)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 137206045
4-[[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135723360

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2459841) is N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccco2)n1N=Cc1ccc[nH]1.
What is the InChIKey of N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is VEJFYGUMFDWIHK-AWPOCNHNSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-15-14-18(17-9-11-5-3-7-16-11)12(10-20-14)13-6-4-8-19-13/h3-10,16H,2H2,1H3/b15-14-,17-9?.
What are the key properties of N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 286.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2459841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).