5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole

C21H21FN2O2S2 — CID 71671050

IUPAC5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole
SMILESCc1ccc(-c2nc(S(=O)(=O)N3CCCCC3)c(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C21H21FN2O2S2/c1-15-5-7-17(8-6-15)20-23-21(28(25,26)24-13-3-2-4-14-24)19(27-20)16-9-11-18(22)12-10-16/h5-12H,2-4,13-14H2,1H3
InChIKeyQWJLKALKVDPIAO-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.10
Rot. Bonds4

About 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole

5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole (PubChem CID 71671050) has the molecular formula C21H21FN2O2S2 and a molecular weight of 416.54 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole
PubChem CID71671050
Molecular FormulaC21H21FN2O2S2
Molecular Weight416.54 g/mol
Exact Mass416.10
IUPAC Name5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole
SMILESCc1ccc(-c2nc(S(=O)(=O)N3CCCCC3)c(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C21H21FN2O2S2/c1-15-5-7-17(8-6-15)20-23-21(28(25,26)24-13-3-2-4-14-24)19(27-20)16-9-11-18(22)12-10-16/h5-12H,2-4,13-14H2,1H3
InChIKeyQWJLKALKVDPIAO-UHFFFAOYSA-N
XLogP5.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride
CID 71668519
2-(4-fluorophenyl)-4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 27668010
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 16861454
1-[4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]sulfonylazepane
CID 1168486
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 78870604
5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole
CID 139582161
2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886009
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole?
The IUPAC name of 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole (CID 71671050) is 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole is Cc1ccc(-c2nc(S(=O)(=O)N3CCCCC3)c(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole?
The InChIKey is QWJLKALKVDPIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S2/c1-15-5-7-17(8-6-15)20-23-21(28(25,26)24-13-3-2-4-14-24)19(27-20)16-9-11-18(22)12-10-16/h5-12H,2-4,13-14H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole?
5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole has a molecular weight of 416.54 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 71671050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).