4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide

C7H8F3N3OS — CID 154739989

IUPAC4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
SMILESCc1nsc(NC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3OS/c1-4-11-6(15-13-4)12-5(14)2-3-7(8,9)10/h2-3H2,1H3,(H,11,12,13,14)
InChIKeyKBEIKKILPOMXFU-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.13
Rot. Bonds3

About 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide

4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide (PubChem CID 154739989) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
PubChem CID154739989
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
SMILESCc1nsc(NC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3OS/c1-4-11-6(15-13-4)12-5(14)2-3-7(8,9)10/h2-3H2,1H3,(H,11,12,13,14)
InChIKeyKBEIKKILPOMXFU-UHFFFAOYSA-N
XLogP2.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide (CID 154739989) is 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide is Cc1nsc(NC(=O)CCC(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The InChIKey is KBEIKKILPOMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-4-11-6(15-13-4)12-5(14)2-3-7(8,9)10/h2-3H2,1H3,(H,11,12,13,14).
What are the key properties of 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide has a molecular weight of 239.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide is sourced from PubChem (CID 154739989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).