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

C21H22N2O2S — CID 3787860

IUPAC4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CC2CCCO2)cc1
InChIInChI=1S/C21H22N2O2S/c1-24-18-11-9-16(10-12-18)20-15-26-21(22-17-6-3-2-4-7-17)23(20)14-19-8-5-13-25-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3/b22-21-
InChIKeyAMYMIUJSHXSOSX-DQRAZIAOSA-N
MW366.49 g/mol
LogP4.64
Rot. Bonds5

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

4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 3787860) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID3787860
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CC2CCCO2)cc1
InChIInChI=1S/C21H22N2O2S/c1-24-18-11-9-16(10-12-18)20-15-26-21(22-17-6-3-2-4-7-17)23(20)14-19-8-5-13-25-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3/b22-21-
InChIKeyAMYMIUJSHXSOSX-DQRAZIAOSA-N
XLogP4.64
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine (CID 3787860) is 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\c3ccccc3)n2CC2CCCO2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is AMYMIUJSHXSOSX-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-24-18-11-9-16(10-12-18)20-15-26-21(22-17-6-3-2-4-7-17)23(20)14-19-8-5-13-25-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3/b22-21-.
What are the key properties of 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 366.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 3787860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).