3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide

C6H6F3N3OS — CID 126795446

IUPAC3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide
SMILESCC(C(=O)Nc1cnns1)C(F)(F)F
InChIInChI=1S/C6H6F3N3OS/c1-3(6(7,8)9)5(13)11-4-2-10-12-14-4/h2-3H,1H3,(H,11,13)
InChIKeyKDVWLMKYCMOACR-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.67
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide

3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide (PubChem CID 126795446) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide
PubChem CID126795446
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC Name3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide
SMILESCC(C(=O)Nc1cnns1)C(F)(F)F
InChIInChI=1S/C6H6F3N3OS/c1-3(6(7,8)9)5(13)11-4-2-10-12-14-4/h2-3H,1H3,(H,11,13)
InChIKeyKDVWLMKYCMOACR-UHFFFAOYSA-N
XLogP1.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.67
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-2-methyl-N-(thiadiazol-5-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide (CID 126795446) is 3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide is CC(C(=O)Nc1cnns1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide?
The InChIKey is KDVWLMKYCMOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c1-3(6(7,8)9)5(13)11-4-2-10-12-14-4/h2-3H,1H3,(H,11,13).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide?
3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide has a molecular weight of 225.19 g/mol, XLogP of 1.67, 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-2-methyl-N-(thiadiazol-5-yl)propanamide is sourced from PubChem (CID 126795446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).