4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine

C24H28N2O3S — CID 23770098

IUPAC4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESCCc1ccc(/N=c2\scc(-c3ccc(OC)cc3OC)n2CC2CCCO2)cc1
InChIInChI=1S/C24H28N2O3S/c1-4-17-7-9-18(10-8-17)25-24-26(15-20-6-5-13-29-20)22(16-30-24)21-12-11-19(27-2)14-23(21)28-3/h7-12,14,16,20H,4-6,13,15H2,1-3H3/b25-24-
InChIKeyYYSGLEGLRLHBLE-IZHYLOQSSA-N
MW424.57 g/mol
LogP5.21
Rot. Bonds7

About 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine

4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine (PubChem CID 23770098) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
PubChem CID23770098
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESCCc1ccc(/N=c2\scc(-c3ccc(OC)cc3OC)n2CC2CCCO2)cc1
InChIInChI=1S/C24H28N2O3S/c1-4-17-7-9-18(10-8-17)25-24-26(15-20-6-5-13-29-20)22(16-30-24)21-12-11-19(27-2)14-23(21)28-3/h7-12,14,16,20H,4-6,13,15H2,1-3H3/b25-24-
InChIKeyYYSGLEGLRLHBLE-IZHYLOQSSA-N
XLogP5.21
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.21
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

4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23933201
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7720864
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 3432436
N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23875611
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 23761409
3-[[4-(2,5-dimethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 26860535
4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 2454032
N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
CID 23796102
N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23793851
N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
CID 2435615
4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine
CID 23790682
N-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813116

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine (CID 23770098) is 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine is CCc1ccc(/N=c2\scc(-c3ccc(OC)cc3OC)n2CC2CCCO2)cc1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The InChIKey is YYSGLEGLRLHBLE-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-4-17-7-9-18(10-8-17)25-24-26(15-20-6-5-13-29-20)22(16-30-24)21-12-11-19(27-2)14-23(21)28-3/h7-12,14,16,20H,4-6,13,15H2,1-3H3/b25-24-.
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine has a molecular weight of 424.57 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23770098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).