4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

C22H23N3O3S2 — CID 2023284

IUPAC4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C22H23N3O3S2/c1-2-12-25-21(17-29-22(25)23-19-6-4-3-5-7-19)18-8-10-20(11-9-18)30(26,27)24-13-15-28-16-14-24/h2-11,17H,1,12-16H2/b23-22-
InChIKeyJDAHFFDYJBXFPI-FCQUAONHSA-N
MW441.58 g/mol
LogP3.66
Rot. Bonds6

About 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 2023284) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID2023284
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C22H23N3O3S2/c1-2-12-25-21(17-29-22(25)23-19-6-4-3-5-7-19)18-8-10-20(11-9-18)30(26,27)24-13-15-28-16-14-24/h2-11,17H,1,12-16H2/b23-22-
InChIKeyJDAHFFDYJBXFPI-FCQUAONHSA-N
XLogP3.66
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine (CID 2023284) is 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is JDAHFFDYJBXFPI-FCQUAONHSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-2-12-25-21(17-29-22(25)23-19-6-4-3-5-7-19)18-8-10-20(11-9-18)30(26,27)24-13-15-28-16-14-24/h2-11,17H,1,12-16H2/b23-22-.
What are the key properties of 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 441.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2023284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).