1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide

C7H8F3N3O2S2 — CID 43593476

IUPAC1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2S2/c8-7(9,10)17(14,15)13-6-12-4-1-2-11-3-5(4)16-6/h11H,1-3H2,(H,12,13)
InChIKeyVSQJFRSVWUXERN-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.05
Rot. Bonds2

About 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (PubChem CID 43593476) has the molecular formula C7H8F3N3O2S2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
PubChem CID43593476
Molecular FormulaC7H8F3N3O2S2
Molecular Weight287.29 g/mol
Exact Mass287.00
IUPAC Name1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2S2/c8-7(9,10)17(14,15)13-6-12-4-1-2-11-3-5(4)16-6/h11H,1-3H2,(H,12,13)
InChIKeyVSQJFRSVWUXERN-UHFFFAOYSA-N
XLogP1.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (CID 43593476) is 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is O=S(=O)(Nc1nc2c(s1)CNCC2)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The InChIKey is VSQJFRSVWUXERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S2/c8-7(9,10)17(14,15)13-6-12-4-1-2-11-3-5(4)16-6/h11H,1-3H2,(H,12,13).
What are the key properties of 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is sourced from PubChem (CID 43593476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).