N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

C25H26N2O4S — CID 23737132

IUPACN-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1cc(-c2cs/c(=N\c3cc(C)cc(C)c3)n2Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C25H26N2O4S/c1-16-9-17(2)11-19(10-16)26-25-27(14-20-7-6-8-31-20)21(15-32-25)18-12-22(28-3)24(30-5)23(13-18)29-4/h6-13,15H,14H2,1-5H3/b26-25-
InChIKeyHASSWUQOHVJFPP-QPLCGJKRSA-N
MW450.56 g/mol
LogP5.73
Rot. Bonds7

About N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23737132) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23737132
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1cc(-c2cs/c(=N\c3cc(C)cc(C)c3)n2Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C25H26N2O4S/c1-16-9-17(2)11-19(10-16)26-25-27(14-20-7-6-8-31-20)21(15-32-25)18-12-22(28-3)24(30-5)23(13-18)29-4/h6-13,15H,14H2,1-5H3/b26-25-
InChIKeyHASSWUQOHVJFPP-QPLCGJKRSA-N
XLogP5.73
TPSA58.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-fluorophenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23857350
3-(furan-2-ylmethyl)-N-(2-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23906223
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23856464
N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 23799456
4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 1283764
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340
N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
CID 23913461
N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
CID 23876718
ethyl 4-[[3-(furan-2-ylmethyl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-ylidene]amino]benzoate
CID 23931775
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-1,3-thiazol-2-imine
CID 44725975
2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 16955782
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 N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (CID 23737132) is N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is COc1cc(-c2cs/c(=N\c3cc(C)cc(C)c3)n2Cc2ccco2)cc(OC)c1OC.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is HASSWUQOHVJFPP-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-16-9-17(2)11-19(10-16)26-25-27(14-20-7-6-8-31-20)21(15-32-25)18-12-22(28-3)24(30-5)23(13-18)29-4/h6-13,15H,14H2,1-5H3/b26-25-.
What are the key properties of N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 450.56 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23737132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).