4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine

C19H21N3O2S — CID 23794866

IUPAC4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccco3)n2N=CCC(C)C)cc1
InChIInChI=1S/C19H21N3O2S/c1-14(2)10-11-20-22-17(18-5-4-12-24-18)13-25-19(22)21-15-6-8-16(23-3)9-7-15/h4-9,11-14H,10H2,1-3H3/b20-11?,21-19-
InChIKeyXMMXVLWWMLOCCX-OKOFMKTPSA-N
MW355.46 g/mol
LogP4.93
Rot. Bonds6

About 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine

4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine (PubChem CID 23794866) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine
PubChem CID23794866
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccco3)n2N=CCC(C)C)cc1
InChIInChI=1S/C19H21N3O2S/c1-14(2)10-11-20-22-17(18-5-4-12-24-18)13-25-19(22)21-15-6-8-16(23-3)9-7-15/h4-9,11-14H,10H2,1-3H3/b20-11?,21-19-
InChIKeyXMMXVLWWMLOCCX-OKOFMKTPSA-N
XLogP4.93
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23988975
3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23906653
4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
CID 135584364
4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23734286
2-[(E)-[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135607258
4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23768904
4-bromo-2-[[4-(furan-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135584429
N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 23799456
5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 2366096
4-[[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135832353
4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23820197
5-ethoxy-2-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838883

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine (CID 23794866) is 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccco3)n2N=CCC(C)C)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine?
The InChIKey is XMMXVLWWMLOCCX-OKOFMKTPSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14(2)10-11-20-22-17(18-5-4-12-24-18)13-25-19(22)21-15-6-8-16(23-3)9-7-15/h4-9,11-14H,10H2,1-3H3/b20-11?,21-19-.
What are the key properties of 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine?
4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine has a molecular weight of 355.46 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23794866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).