N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine

C23H26FN3O3S2 — CID 1042411

IUPACN-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
SMILESCC(C)Cn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O3S2/c1-17(2)15-27-22(16-31-23(27)25-20-7-5-19(24)6-8-20)18-3-9-21(10-4-18)32(28,29)26-11-13-30-14-12-26/h3-10,16-17H,11-15H2,1-2H3/b25-23-
InChIKeyLRAZMODPVIWFNK-BZZOAKBMSA-N
MW475.61 g/mol
LogP4.26
Rot. Bonds6

About N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine

N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (PubChem CID 1042411) has the molecular formula C23H26FN3O3S2 and a molecular weight of 475.61 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
PubChem CID1042411
Molecular FormulaC23H26FN3O3S2
Molecular Weight475.61 g/mol
Exact Mass475.14
IUPAC NameN-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
SMILESCC(C)Cn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O3S2/c1-17(2)15-27-22(16-31-23(27)25-20-7-5-19(24)6-8-20)18-3-9-21(10-4-18)32(28,29)26-11-13-30-14-12-26/h3-10,16-17H,11-15H2,1-2H3/b25-23-
InChIKeyLRAZMODPVIWFNK-BZZOAKBMSA-N
XLogP4.26
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (CID 1042411) is N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is CC(C)Cn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The InChIKey is LRAZMODPVIWFNK-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H26FN3O3S2/c1-17(2)15-27-22(16-31-23(27)25-20-7-5-19(24)6-8-20)18-3-9-21(10-4-18)32(28,29)26-11-13-30-14-12-26/h3-10,16-17H,11-15H2,1-2H3/b25-23-.
What are the key properties of N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine has a molecular weight of 475.61 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(2-methylpropyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 1042411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).