4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole

C22H22F2N2O4S2 — CID 68573763

IUPAC4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
SMILESCOc1ccc(OC)c(S(=O)(=O)C2CCN(c3nc(-c4cc(F)cc(F)c4)cs3)CC2)c1
InChIInChI=1S/C22H22F2N2O4S2/c1-29-17-3-4-20(30-2)21(12-17)32(27,28)18-5-7-26(8-6-18)22-25-19(13-31-22)14-9-15(23)11-16(24)10-14/h3-4,9-13,18H,5-8H2,1-2H3
InChIKeyRHJDIHQUSXRPRM-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.55
Rot. Bonds6

About 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole

4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole (PubChem CID 68573763) has the molecular formula C22H22F2N2O4S2 and a molecular weight of 480.56 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
PubChem CID68573763
Molecular FormulaC22H22F2N2O4S2
Molecular Weight480.56 g/mol
Exact Mass480.10
IUPAC Name4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
SMILESCOc1ccc(OC)c(S(=O)(=O)C2CCN(c3nc(-c4cc(F)cc(F)c4)cs3)CC2)c1
InChIInChI=1S/C22H22F2N2O4S2/c1-29-17-3-4-20(30-2)21(12-17)32(27,28)18-5-7-26(8-6-18)22-25-19(13-31-22)14-9-15(23)11-16(24)10-14/h3-4,9-13,18H,5-8H2,1-2H3
InChIKeyRHJDIHQUSXRPRM-UHFFFAOYSA-N
XLogP4.55
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-dimethoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87464233
4-(3,4-dimethoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87463917
4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87465595
4-(3-chloro-5-fluorophenyl)-2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87466657
2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperidin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 87466584
2-[4-(5-bromo-2-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-chloro-4-fluorophenyl)-1,3-thiazole;2-[4-(5-bromo-2-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-chloro-5-fluorophenyl)-1,3-thiazole
CID 87551582
4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3,5-difluorophenyl)methyl]-2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 158506707
N-(2,4-dimethoxyphenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 4999497
4-(3-bromophenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87466707
4-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3-chloro-5-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(4-chloro-3-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 173105274
2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole;2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
CID 68729592
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-pyridin-4-yl-1,3-thiazole
CID 25191882

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole (CID 68573763) is 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole is COc1ccc(OC)c(S(=O)(=O)C2CCN(c3nc(-c4cc(F)cc(F)c4)cs3)CC2)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The InChIKey is RHJDIHQUSXRPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O4S2/c1-29-17-3-4-20(30-2)21(12-17)32(27,28)18-5-7-26(8-6-18)22-25-19(13-31-22)14-9-15(23)11-16(24)10-14/h3-4,9-13,18H,5-8H2,1-2H3.
What are the key properties of 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole has a molecular weight of 480.56 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 68573763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).