3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine

C19H21N3OS — CID 23908285

IUPAC3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2ccc(C)cc2)cs/c1=N\C(C)C)c1ccco1
InChIInChI=1S/C19H21N3OS/c1-13(2)20-19-22(21-15(4)18-6-5-11-23-18)17(12-24-19)16-9-7-14(3)8-10-16/h5-13H,1-4H3/b20-19-,21-15?
InChIKeyZJZRIJROQGWSGU-JXOAEDSTSA-N
MW339.46 g/mol
LogP4.70
Rot. Bonds4

About 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine

3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 23908285) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine
PubChem CID23908285
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2ccc(C)cc2)cs/c1=N\C(C)C)c1ccco1
InChIInChI=1S/C19H21N3OS/c1-13(2)20-19-22(21-15(4)18-6-5-11-23-18)17(12-24-19)16-9-7-14(3)8-10-16/h5-13H,1-4H3/b20-19-,21-15?
InChIKeyZJZRIJROQGWSGU-JXOAEDSTSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23912172
4-[[3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23737108
N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 4014518
4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23966153
4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23768998
N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 23878605
4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135681328
4-[[4-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135591982
3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23821389
(Z)-4-(2,5-dimethoxyphenyl)-N-ethyl-3-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 6283588
4-[C-ethyl-N-(4-phenyl-2-propan-2-ylimino-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135594175
4-(4-bromophenyl)-3-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23824830

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine (CID 23908285) is 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine is CC(=Nn1c(-c2ccc(C)cc2)cs/c1=N\C(C)C)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is ZJZRIJROQGWSGU-JXOAEDSTSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13(2)20-19-22(21-15(4)18-6-5-11-23-18)17(12-24-19)16-9-7-14(3)8-10-16/h5-13H,1-4H3/b20-19-,21-15?.
What are the key properties of 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine?
3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 339.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23908285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).