4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine

C24H24N2O3S — CID 23762496

IUPAC4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESCCOc1ccccc1/N=c1\scc(-c2cc3ccccc3o2)n1CC1CCCO1
InChIInChI=1S/C24H24N2O3S/c1-2-27-22-12-6-4-10-19(22)25-24-26(15-18-9-7-13-28-18)20(16-30-24)23-14-17-8-3-5-11-21(17)29-23/h3-6,8,10-12,14,16,18H,2,7,9,13,15H2,1H3/b25-24-
InChIKeyBQMOTQCMGVXOIM-IZHYLOQSSA-N
MW420.53 g/mol
LogP5.77
Rot. Bonds6

About 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine

4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine (PubChem CID 23762496) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
PubChem CID23762496
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESCCOc1ccccc1/N=c1\scc(-c2cc3ccccc3o2)n1CC1CCCO1
InChIInChI=1S/C24H24N2O3S/c1-2-27-22-12-6-4-10-19(22)25-24-26(15-18-9-7-13-28-18)20(16-30-24)23-14-17-8-3-5-11-21(17)29-23/h3-6,8,10-12,14,16,18H,2,7,9,13,15H2,1H3/b25-24-
InChIKeyBQMOTQCMGVXOIM-IZHYLOQSSA-N
XLogP5.77
TPSA48.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.77
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-(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-methylphenyl)-4-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23799143
6-[2-(2-methoxyphenyl)imino-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2645606
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 23761409
4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23933201
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
N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23875611
4-(1-benzofuran-2-yl)-3-[(4-fluorophenyl)methyl]-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23911040
4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23770098
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7720864

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine (CID 23762496) is 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine is CCOc1ccccc1/N=c1\scc(-c2cc3ccccc3o2)n1CC1CCCO1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The InChIKey is BQMOTQCMGVXOIM-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-2-27-22-12-6-4-10-19(22)25-24-26(15-18-9-7-13-28-18)20(16-30-24)23-14-17-8-3-5-11-21(17)29-23/h3-6,8,10-12,14,16,18H,2,7,9,13,15H2,1H3/b25-24-.
What are the key properties of 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine has a molecular weight of 420.53 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23762496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).