N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane

C25H25FN2O2S2 — CID 142982468

IUPACN-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane
SMILESCC.CS(=O)(=O)c1ccc(-c2sc(NCc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O2S2.C2H6/c1-30(27,28)20-13-9-18(10-14-20)22-21(17-7-11-19(24)12-8-17)26-23(29-22)25-15-16-5-3-2-4-6-16;1-2/h2-14H,15H2,1H3,(H,25,26);1-2H3
InChIKeyIPJHKCGOOFEEST-UHFFFAOYSA-N
MW468.62 g/mol
LogP6.66
Rot. Bonds6

About N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane

N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane (PubChem CID 142982468) has the molecular formula C25H25FN2O2S2 and a molecular weight of 468.62 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane
PubChem CID142982468
Molecular FormulaC25H25FN2O2S2
Molecular Weight468.62 g/mol
Exact Mass468.13
IUPAC NameN-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane
SMILESCC.CS(=O)(=O)c1ccc(-c2sc(NCc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O2S2.C2H6/c1-30(27,28)20-13-9-18(10-14-20)22-21(17-7-11-19(24)12-8-17)26-23(29-22)25-15-16-5-3-2-4-6-16;1-2/h2-14H,15H2,1H3,(H,25,26);1-2H3
InChIKeyIPJHKCGOOFEEST-UHFFFAOYSA-N
XLogP6.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 54029220
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911810
5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54150112
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 10157862
ethyl 2-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 22911825
2-(fluoromethylsulfonyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 70204757
N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
CID 22912147
3-[[4-[4-(4-fluorophenyl)phenyl]-5-phenyl-1,3-thiazol-2-yl]amino]-2-methylpropanoic acid
CID 171750298
2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54030755
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
CID 18463533
(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
CID 54198431

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane (CID 142982468) is N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane is CC.CS(=O)(=O)c1ccc(-c2sc(NCc3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane?
The InChIKey is IPJHKCGOOFEEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2S2.C2H6/c1-30(27,28)20-13-9-18(10-14-20)22-21(17-7-11-19(24)12-8-17)26-23(29-22)25-15-16-5-3-2-4-6-16;1-2/h2-14H,15H2,1H3,(H,25,26);1-2H3.
What are the key properties of N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane?
N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane has a molecular weight of 468.62 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 142982468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).