4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine

C22H20N2O3S — CID 44725975

IUPAC4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\Cc3ccco3)n2-c2ccccc2)cc1OC
InChIInChI=1S/C22H20N2O3S/c1-25-20-11-10-16(13-21(20)26-2)19-15-28-22(23-14-18-9-6-12-27-18)24(19)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3/b23-22-
InChIKeyNTXUFEHBAVARNB-FCQUAONHSA-N
MW392.48 g/mol
LogP4.92
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine

4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine (PubChem CID 44725975) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine
PubChem CID44725975
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\Cc3ccco3)n2-c2ccccc2)cc1OC
InChIInChI=1S/C22H20N2O3S/c1-25-20-11-10-16(13-21(20)26-2)19-15-28-22(23-14-18-9-6-12-27-18)24(19)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3/b23-22-
InChIKeyNTXUFEHBAVARNB-FCQUAONHSA-N
XLogP4.92
TPSA48.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23737132
3-(furan-2-ylmethyl)-N-(2-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23906223
3-chloro-4-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110583680
N-(4-chloro-3-fluorophenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23857350
2-[(3,4-dimethoxyphenyl)methyl]furan
CID 71735507
N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride
CID 128962848
N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23878510
4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 1283764
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6887688
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-[3-[2-(4-fluorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione
CID 4281240

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine (CID 44725975) is 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\Cc3ccco3)n2-c2ccccc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine?
The InChIKey is NTXUFEHBAVARNB-FCQUAONHSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-25-20-11-10-16(13-21(20)26-2)19-15-28-22(23-14-18-9-6-12-27-18)24(19)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3/b23-22-.
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine?
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine has a molecular weight of 392.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 44725975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).