4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

C24H23FN4O2S2 — CID 30463558

IUPAC4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc2cccc(S(=O)(=O)N3CCN(Cc4nc(-c5ccc(F)cc5)cs4)CC3)c2n1
InChIInChI=1S/C24H23FN4O2S2/c1-17-5-6-19-3-2-4-22(24(19)26-17)33(30,31)29-13-11-28(12-14-29)15-23-27-21(16-32-23)18-7-9-20(25)10-8-18/h2-10,16H,11-15H2,1H3
InChIKeyHZINFBJXJOSOPT-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.31
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 30463558) has the molecular formula C24H23FN4O2S2 and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID30463558
Molecular FormulaC24H23FN4O2S2
Molecular Weight482.61 g/mol
Exact Mass482.12
IUPAC Name4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc2cccc(S(=O)(=O)N3CCN(Cc4nc(-c5ccc(F)cc5)cs4)CC3)c2n1
InChIInChI=1S/C24H23FN4O2S2/c1-17-5-6-19-3-2-4-22(24(19)26-17)33(30,31)29-13-11-28(12-14-29)15-23-27-21(16-32-23)18-7-9-20(25)10-8-18/h2-10,16H,11-15H2,1H3
InChIKeyHZINFBJXJOSOPT-UHFFFAOYSA-N
XLogP4.31
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (CID 30463558) is 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is Cc1ccc2cccc(S(=O)(=O)N3CCN(Cc4nc(-c5ccc(F)cc5)cs4)CC3)c2n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HZINFBJXJOSOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S2/c1-17-5-6-19-3-2-4-22(24(19)26-17)33(30,31)29-13-11-28(12-14-29)15-23-27-21(16-32-23)18-7-9-20(25)10-8-18/h2-10,16H,11-15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 482.61 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 30463558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).