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

C24H28FN3O3S2 — CID 23826839

IUPAC4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine
SMILESCCC(CC)n1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H28FN3O3S2/c1-3-21(4-2)28-23(18-5-7-19(25)8-6-18)17-32-24(28)26-20-9-11-22(12-10-20)33(29,30)27-13-15-31-16-14-27/h5-12,17,21H,3-4,13-16H2,1-2H3/b26-24-
InChIKeyDAABJTWTMCQTSC-LCUIJRPUSA-N
MW489.64 g/mol
LogP4.97
Rot. Bonds7

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

4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine (PubChem CID 23826839) has the molecular formula C24H28FN3O3S2 and a molecular weight of 489.64 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine
PubChem CID23826839
Molecular FormulaC24H28FN3O3S2
Molecular Weight489.64 g/mol
Exact Mass489.16
IUPAC Name4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine
SMILESCCC(CC)n1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H28FN3O3S2/c1-3-21(4-2)28-23(18-5-7-19(25)8-6-18)17-32-24(28)26-20-9-11-22(12-10-20)33(29,30)27-13-15-31-16-14-27/h5-12,17,21H,3-4,13-16H2,1-2H3/b26-24-
InChIKeyDAABJTWTMCQTSC-LCUIJRPUSA-N
XLogP4.97
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 54.97
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

N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)-3-pentan-2-yl-1,3-thiazol-2-imine
CID 23881931
3-ethyl-N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813136
3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23935571
N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-pentyl-1,3-thiazol-2-imine
CID 18813162
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
CID 23961498
N,3-bis(4-methoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812771
N-(4-ethoxyphenyl)-3-(2-methoxyethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813008
2-[2-(4-methoxyphenyl)imino-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-3-yl]ethanol
CID 3665554
4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine
CID 23769973
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 3650518
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812872
4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23800397

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine (CID 23826839) is 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine is CCC(CC)n1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine?
The InChIKey is DAABJTWTMCQTSC-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H28FN3O3S2/c1-3-21(4-2)28-23(18-5-7-19(25)8-6-18)17-32-24(28)26-20-9-11-22(12-10-20)33(29,30)27-13-15-31-16-14-27/h5-12,17,21H,3-4,13-16H2,1-2H3/b26-24-.
What are the key properties of 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine has a molecular weight of 489.64 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23826839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).