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

C22H24N2O3S — CID 23933201

IUPAC4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESCOc1cccc(/N=c2\scc(-c3ccccc3OC)n2CC2CCCO2)c1
InChIInChI=1S/C22H24N2O3S/c1-25-17-8-5-7-16(13-17)23-22-24(14-18-9-6-12-27-18)20(15-28-22)19-10-3-4-11-21(19)26-2/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3/b23-22-
InChIKeyZTOMIIVCWABGOB-FCQUAONHSA-N
MW396.51 g/mol
LogP4.65
Rot. Bonds6

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

4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine (PubChem CID 23933201) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
PubChem CID23933201
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESCOc1cccc(/N=c2\scc(-c3ccccc3OC)n2CC2CCCO2)c1
InChIInChI=1S/C22H24N2O3S/c1-25-17-8-5-7-16(13-17)23-22-24(14-18-9-6-12-27-18)20(15-28-22)19-10-3-4-11-21(19)26-2/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3/b23-22-
InChIKeyZTOMIIVCWABGOB-FCQUAONHSA-N
XLogP4.65
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.65
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

3-[[4-(2,5-dimethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 26860535
4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23770098
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 23761409
N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
CID 23796102
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
3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
CID 23940294
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
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
N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23793851
3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol
CID 4103058

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine (CID 23933201) is 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine is COc1cccc(/N=c2\scc(-c3ccccc3OC)n2CC2CCCO2)c1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The InChIKey is ZTOMIIVCWABGOB-FCQUAONHSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-25-17-8-5-7-16(13-17)23-22-24(14-18-9-6-12-27-18)20(15-28-22)19-10-3-4-11-21(19)26-2/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3/b23-22-.
What are the key properties of 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine has a molecular weight of 396.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23933201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).