2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole

C16H18F2N2O3S2 — CID 159097683

IUPAC2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole
SMILESCc1c(OC2CCNCC2)cc(F)c(S(=O)(=O)Cc2nccs2)c1F
InChIInChI=1S/C16H18F2N2O3S2/c1-10-13(23-11-2-4-19-5-3-11)8-12(17)16(15(10)18)25(21,22)9-14-20-6-7-24-14/h6-8,11,19H,2-5,9H2,1H3
InChIKeyKCWJYFVVGOOJSX-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.83
Rot. Bonds5

About 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole

2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole (PubChem CID 159097683) has the molecular formula C16H18F2N2O3S2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole
PubChem CID159097683
Molecular FormulaC16H18F2N2O3S2
Molecular Weight388.46 g/mol
Exact Mass388.07
IUPAC Name2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole
SMILESCc1c(OC2CCNCC2)cc(F)c(S(=O)(=O)Cc2nccs2)c1F
InChIInChI=1S/C16H18F2N2O3S2/c1-10-13(23-11-2-4-19-5-3-11)8-12(17)16(15(10)18)25(21,22)9-14-20-6-7-24-14/h6-8,11,19H,2-5,9H2,1H3
InChIKeyKCWJYFVVGOOJSX-UHFFFAOYSA-N
XLogP2.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole (CID 159097683) is 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole is Cc1c(OC2CCNCC2)cc(F)c(S(=O)(=O)Cc2nccs2)c1F.
What is the InChIKey of 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole?
The InChIKey is KCWJYFVVGOOJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3S2/c1-10-13(23-11-2-4-19-5-3-11)8-12(17)16(15(10)18)25(21,22)9-14-20-6-7-24-14/h6-8,11,19H,2-5,9H2,1H3.
What are the key properties of 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole?
2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole has a molecular weight of 388.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3-methyl-4-piperidin-4-yloxyphenyl)sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 159097683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).