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

C10H14F3N3O2S2 — CID 83058650

IUPAC4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C10H14F3N3O2S2/c11-10(12,13)3-1-5-20(17,18)16-9-15-7-2-4-14-6-8(7)19-9/h14H,1-6H2,(H,15,16)
InChIKeyQJNHODDTQPWABN-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.87
Rot. Bonds5

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

4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide (PubChem CID 83058650) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide
PubChem CID83058650
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC Name4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C10H14F3N3O2S2/c11-10(12,13)3-1-5-20(17,18)16-9-15-7-2-4-14-6-8(7)19-9/h14H,1-6H2,(H,15,16)
InChIKeyQJNHODDTQPWABN-UHFFFAOYSA-N
XLogP1.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide (CID 83058650) is 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide?
The InChIKey is QJNHODDTQPWABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c11-10(12,13)3-1-5-20(17,18)16-9-15-7-2-4-14-6-8(7)19-9/h14H,1-6H2,(H,15,16).
What are the key properties of 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide has a molecular weight of 329.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 83058650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).