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

C20H22N2O3S — CID 8715499

IUPAC3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2ccccc2OC)cs/c1=N\c1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3S/c1-23-13-12-22-18(17-6-4-5-7-19(17)25-3)14-26-20(22)21-15-8-10-16(24-2)11-9-15/h4-11,14H,12-13H2,1-3H3/b21-20-
InChIKeyREOOUYAGJUYRHK-MRCUWXFGSA-N
MW370.47 g/mol
LogP4.11
Rot. Bonds7

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

3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 8715499) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID8715499
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2ccccc2OC)cs/c1=N\c1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3S/c1-23-13-12-22-18(17-6-4-5-7-19(17)25-3)14-26-20(22)21-15-8-10-16(24-2)11-9-15/h4-11,14H,12-13H2,1-3H3/b21-20-
InChIKeyREOOUYAGJUYRHK-MRCUWXFGSA-N
XLogP4.11
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.11
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-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
CID 23940294
N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697
4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23933201
4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18812782
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740492
3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 624784
3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol
CID 4103058
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 44761956
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 163332770
2-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide
CID 21178881
N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 23799456
N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23911708

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine (CID 8715499) is 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine is COCCn1c(-c2ccccc2OC)cs/c1=N\c1ccc(OC)cc1.
What is the InChIKey of 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is REOOUYAGJUYRHK-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-23-13-12-22-18(17-6-4-5-7-19(17)25-3)14-26-20(22)21-15-8-10-16(24-2)11-9-15/h4-11,14H,12-13H2,1-3H3/b21-20-.
What are the key properties of 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 370.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 8715499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).