2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide

C10H6F4N4O2S2 — CID 4229322

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide
SMILESO=C(Nc1nccs1)C(F)(F)C(F)(F)C(=O)Nc1nccs1
InChIInChI=1S/C10H6F4N4O2S2/c11-9(12,5(19)17-7-15-1-3-21-7)10(13,14)6(20)18-8-16-2-4-22-8/h1-4H,(H,15,17,19)(H,16,18,20)
InChIKeyFSSXCGRLTKYSEF-UHFFFAOYSA-N
MW354.31 g/mol
LogP2.45
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide

2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide (PubChem CID 4229322) has the molecular formula C10H6F4N4O2S2 and a molecular weight of 354.31 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide
PubChem CID4229322
Molecular FormulaC10H6F4N4O2S2
Molecular Weight354.31 g/mol
Exact Mass353.99
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide
SMILESO=C(Nc1nccs1)C(F)(F)C(F)(F)C(=O)Nc1nccs1
InChIInChI=1S/C10H6F4N4O2S2/c11-9(12,5(19)17-7-15-1-3-21-7)10(13,14)6(20)18-8-16-2-4-22-8/h1-4H,(H,15,17,19)(H,16,18,20)
InChIKeyFSSXCGRLTKYSEF-UHFFFAOYSA-N
XLogP2.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide (CID 4229322) is 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide is O=C(Nc1nccs1)C(F)(F)C(F)(F)C(=O)Nc1nccs1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide?
The InChIKey is FSSXCGRLTKYSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N4O2S2/c11-9(12,5(19)17-7-15-1-3-21-7)10(13,14)6(20)18-8-16-2-4-22-8/h1-4H,(H,15,17,19)(H,16,18,20).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide has a molecular weight of 354.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 4229322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).