2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide

C12H10F4N4O2S2 — CID 4582088

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide
SMILESCc1csc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C12H10F4N4O2S2/c1-5-3-23-9(17-5)19-7(21)11(13,14)12(15,16)8(22)20-10-18-6(2)4-24-10/h3-4H,1-2H3,(H,17,19,21)(H,18,20,22)
InChIKeyAEZKPYFXFHMTDX-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.06
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide

2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide (PubChem CID 4582088) has the molecular formula C12H10F4N4O2S2 and a molecular weight of 382.36 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide
PubChem CID4582088
Molecular FormulaC12H10F4N4O2S2
Molecular Weight382.36 g/mol
Exact Mass382.02
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide
SMILESCc1csc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C12H10F4N4O2S2/c1-5-3-23-9(17-5)19-7(21)11(13,14)12(15,16)8(22)20-10-18-6(2)4-24-10/h3-4H,1-2H3,(H,17,19,21)(H,18,20,22)
InChIKeyAEZKPYFXFHMTDX-UHFFFAOYSA-N
XLogP3.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.06
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(4-methyl-1,3-thiazol-2-yl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide (CID 4582088) is 2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide is Cc1csc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2nc(C)cs2)n1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide?
The InChIKey is AEZKPYFXFHMTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4O2S2/c1-5-3-23-9(17-5)19-7(21)11(13,14)12(15,16)8(22)20-10-18-6(2)4-24-10/h3-4H,1-2H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide has a molecular weight of 382.36 g/mol, XLogP of 3.06, 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(4-methyl-1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 4582088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).