2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole

C42H42F4N6O4S4 — CID 157259896

IUPAC2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2csc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)n2)c1C.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/2C21H21F2N3O2S2/c1-14-5-3-6-16(15(14)2)19-13-29-21(24-19)25-9-11-26(12-10-25)30(27,28)20-17(22)7-4-8-18(20)23;1-14-5-3-6-15(2)19(14)18-13-29-21(24-18)25-9-11-26(12-10-25)30(27,28)20-16(22)7-4-8-17(20)23/h2*3-8,13H,9-12H2,1-2H3
InChIKeyAXIHIHOCLKIOBI-UHFFFAOYSA-N
MW899.10 g/mol
LogP8.43
Rot. Bonds8

About 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole

2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole (PubChem CID 157259896) has the molecular formula C42H42F4N6O4S4 and a molecular weight of 899.10 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole
PubChem CID157259896
Molecular FormulaC42H42F4N6O4S4
Molecular Weight899.10 g/mol
Exact Mass898.21
IUPAC Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2csc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)n2)c1C.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/2C21H21F2N3O2S2/c1-14-5-3-6-16(15(14)2)19-13-29-21(24-19)25-9-11-26(12-10-25)30(27,28)20-17(22)7-4-8-18(20)23;1-14-5-3-6-15(2)19(14)18-13-29-21(24-18)25-9-11-26(12-10-25)30(27,28)20-16(22)7-4-8-17(20)23/h2*3-8,13H,9-12H2,1-2H3
InChIKeyAXIHIHOCLKIOBI-UHFFFAOYSA-N
XLogP8.43
TPSA107.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.10
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87551931
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole
CID 71811087
4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
CID 158314963
2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 87465276
4-(4-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465355
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole
CID 157152926
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
CID 87552161
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
CID 161160175
4-(3-methoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 162011689
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
CID 133345227
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3-chloro-5-fluorophenyl)methyl]-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 158803514
2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 129303196

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole (CID 157259896) is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole is Cc1cccc(-c2csc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)n2)c1C.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole?
The InChIKey is AXIHIHOCLKIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21F2N3O2S2/c1-14-5-3-6-16(15(14)2)19-13-29-21(24-19)25-9-11-26(12-10-25)30(27,28)20-17(22)7-4-8-18(20)23;1-14-5-3-6-15(2)19(14)18-13-29-21(24-18)25-9-11-26(12-10-25)30(27,28)20-16(22)7-4-8-17(20)23/h2*3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole?
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole has a molecular weight of 899.10 g/mol, XLogP of 8.43, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 157259896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).