2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole

C9H11F3N2O2S2 — CID 150765404

IUPAC2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole
SMILESO=S(=O)(N1CCC(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S2/c10-9(11,12)18(15,16)14-4-1-7(2-5-14)8-13-3-6-17-8/h3,6-7H,1-2,4-5H2
InChIKeyJYSHRBCATCETFO-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.17
Rot. Bonds2

About 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole

2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 150765404) has the molecular formula C9H11F3N2O2S2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole
PubChem CID150765404
Molecular FormulaC9H11F3N2O2S2
Molecular Weight300.33 g/mol
Exact Mass300.02
IUPAC Name2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole
SMILESO=S(=O)(N1CCC(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S2/c10-9(11,12)18(15,16)14-4-1-7(2-5-14)8-13-3-6-17-8/h3,6-7H,1-2,4-5H2
InChIKeyJYSHRBCATCETFO-UHFFFAOYSA-N
XLogP2.17
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole (CID 150765404) is 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole is O=S(=O)(N1CCC(c2nccs2)CC1)C(F)(F)F.
What is the InChIKey of 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is JYSHRBCATCETFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S2/c10-9(11,12)18(15,16)14-4-1-7(2-5-14)8-13-3-6-17-8/h3,6-7H,1-2,4-5H2.
What are the key properties of 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole?
2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 300.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 150765404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).