2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide

C11H17F3N4O2S2 — CID 133486781

IUPAC2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H17F3N4O2S2/c12-11(13,14)7-18-3-1-8(2-4-18)5-16-10-17-6-9(21-10)22(15,19)20/h6,8H,1-5,7H2,(H,16,17)(H2,15,19,20)
InChIKeyTZPPOLDXUDYTRM-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.48
Rot. Bonds5

About 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide

2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133486781) has the molecular formula C11H17F3N4O2S2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133486781
Molecular FormulaC11H17F3N4O2S2
Molecular Weight358.41 g/mol
Exact Mass358.07
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H17F3N4O2S2/c12-11(13,14)7-18-3-1-8(2-4-18)5-16-10-17-6-9(21-10)22(15,19)20/h6,8H,1-5,7H2,(H,16,17)(H2,15,19,20)
InChIKeyTZPPOLDXUDYTRM-UHFFFAOYSA-N
XLogP1.48
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide (CID 133486781) is 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCC2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is TZPPOLDXUDYTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S2/c12-11(13,14)7-18-3-1-8(2-4-18)5-16-10-17-6-9(21-10)22(15,19)20/h6,8H,1-5,7H2,(H,16,17)(H2,15,19,20).
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide?
2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 358.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133486781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).