2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole

C16H18F2N2O2S3 — CID 71800826

IUPAC2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SCC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C16H18F2N2O2S3/c1-11-9-23-16(19-11)24-10-12-5-7-20(8-6-12)25(21,22)15-13(17)3-2-4-14(15)18/h2-4,9,12H,5-8,10H2,1H3
InChIKeyGXSBQDDGFOKQGK-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.92
Rot. Bonds5

About 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole

2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole (PubChem CID 71800826) has the molecular formula C16H18F2N2O2S3 and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole
PubChem CID71800826
Molecular FormulaC16H18F2N2O2S3
Molecular Weight404.53 g/mol
Exact Mass404.05
IUPAC Name2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SCC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C16H18F2N2O2S3/c1-11-9-23-16(19-11)24-10-12-5-7-20(8-6-12)25(21,22)15-13(17)3-2-4-14(15)18/h2-4,9,12H,5-8,10H2,1H3
InChIKeyGXSBQDDGFOKQGK-UHFFFAOYSA-N
XLogP3.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole
CID 71800818
N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800814
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
(5-methyl-1,2-oxazol-3-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800794
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
1-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709783
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336222
[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708491
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4881188

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole (CID 71800826) is 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole is Cc1csc(SCC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1.
What is the InChIKey of 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is GXSBQDDGFOKQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S3/c1-11-9-23-16(19-11)24-10-12-5-7-20(8-6-12)25(21,22)15-13(17)3-2-4-14(15)18/h2-4,9,12H,5-8,10H2,1H3.
What are the key properties of 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole?
2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 404.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 71800826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).