3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide

C5H4F3N3OS — CID 130874975

IUPAC3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1cnns1
InChIInChI=1S/C5H4F3N3OS/c6-5(7,8)1-3(12)10-4-2-9-11-13-4/h2H,1H2,(H,10,12)
InChIKeyHBNJAHOQKAJHLR-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.43
Rot. Bonds2

About 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide

3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide (PubChem CID 130874975) has the molecular formula C5H4F3N3OS and a molecular weight of 211.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide
PubChem CID130874975
Molecular FormulaC5H4F3N3OS
Molecular Weight211.17 g/mol
Exact Mass211.00
IUPAC Name3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1cnns1
InChIInChI=1S/C5H4F3N3OS/c6-5(7,8)1-3(12)10-4-2-9-11-13-4/h2H,1H2,(H,10,12)
InChIKeyHBNJAHOQKAJHLR-UHFFFAOYSA-N
XLogP1.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide (CID 130874975) is 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide is O=C(CC(F)(F)F)Nc1cnns1.
What is the InChIKey of 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide?
The InChIKey is HBNJAHOQKAJHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3OS/c6-5(7,8)1-3(12)10-4-2-9-11-13-4/h2H,1H2,(H,10,12).
What are the key properties of 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide?
3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide has a molecular weight of 211.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(thiadiazol-5-yl)propanamide is sourced from PubChem (CID 130874975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).