N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine

C24H29N3O4S2 — CID 1037718

IUPACN-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine
SMILESCCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccc(OCC)cc1
InChIInChI=1S/C24H29N3O4S2/c1-3-13-27-23(18-32-24(27)25-20-7-9-21(10-8-20)31-4-2)19-5-11-22(12-6-19)33(28,29)26-14-16-30-17-15-26/h5-12,18H,3-4,13-17H2,1-2H3/b25-24-
InChIKeyFOQGLWDDHPCVDG-IZHYLOQSSA-N
MW487.65 g/mol
LogP4.28
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine

N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine (PubChem CID 1037718) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine
PubChem CID1037718
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC NameN-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine
SMILESCCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccc(OCC)cc1
InChIInChI=1S/C24H29N3O4S2/c1-3-13-27-23(18-32-24(27)25-20-7-9-21(10-8-20)31-4-2)19-5-11-22(12-6-19)33(28,29)26-14-16-30-17-15-26/h5-12,18H,3-4,13-17H2,1-2H3/b25-24-
InChIKeyFOQGLWDDHPCVDG-IZHYLOQSSA-N
XLogP4.28
TPSA73.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine (CID 1037718) is N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine is CCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine?
The InChIKey is FOQGLWDDHPCVDG-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-3-13-27-23(18-32-24(27)25-20-7-9-21(10-8-20)31-4-2)19-5-11-22(12-6-19)33(28,29)26-14-16-30-17-15-26/h5-12,18H,3-4,13-17H2,1-2H3/b25-24-.
What are the key properties of N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine?
N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine has a molecular weight of 487.65 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-propyl-1,3-thiazol-2-imine is sourced from PubChem (CID 1037718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).