3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

C20H21N3O2S — CID 23821389

IUPAC3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2OC)n1N=C(C)c1ccco1
InChIInChI=1S/C20H21N3O2S/c1-14(2)12-21-20-23(22-15(3)18-10-7-11-25-18)17(13-26-20)16-8-5-6-9-19(16)24-4/h5-11,13H,1,12H2,2-4H3/b21-20-,22-15?
InChIKeyXSXOJGOFXRRGSG-ORDWTAGWSA-N
MW367.47 g/mol
LogP4.57
Rot. Bonds6

About 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (PubChem CID 23821389) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
PubChem CID23821389
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2OC)n1N=C(C)c1ccco1
InChIInChI=1S/C20H21N3O2S/c1-14(2)12-21-20-23(22-15(3)18-10-7-11-25-18)17(13-26-20)16-8-5-6-9-19(16)24-4/h5-11,13H,1,12H2,2-4H3/b21-20-,22-15?
InChIKeyXSXOJGOFXRRGSG-ORDWTAGWSA-N
XLogP4.57
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(2,5-dimethoxyphenyl)-N-ethyl-3-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 6283588
4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23739770
2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
CID 135849922
N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 23878605
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23932545
4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-(pentan-3-ylideneamino)-1,3-thiazol-2-imine
CID 23994084
3-(butan-2-ylideneamino)-4-(2,4-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23881615
2-[C-methyl-N-[2-(2-methylprop-2-enylimino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135755983
N-benzyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23847728
3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23905208
4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23966153
N-(2-methylprop-2-enyl)-3-(pentan-3-ylideneamino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23941442

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (CID 23821389) is 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccccc2OC)n1N=C(C)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The InChIKey is XSXOJGOFXRRGSG-ORDWTAGWSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(2)12-21-20-23(22-15(3)18-10-7-11-25-18)17(13-26-20)16-8-5-6-9-19(16)24-4/h5-11,13H,1,12H2,2-4H3/b21-20-,22-15?.
What are the key properties of 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine has a molecular weight of 367.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23821389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).