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

C6H7F3N4OS — CID 114912256

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide
SMILESCC(N)(C(=O)Nc1cnns1)C(F)(F)F
InChIInChI=1S/C6H7F3N4OS/c1-5(10,6(7,8)9)4(14)12-3-2-11-13-15-3/h2H,10H2,1H3,(H,12,14)
InChIKeyIGMULGNJCKCLFJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.76
Rot. Bonds2

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

2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide (PubChem CID 114912256) has the molecular formula C6H7F3N4OS and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide
PubChem CID114912256
Molecular FormulaC6H7F3N4OS
Molecular Weight240.21 g/mol
Exact Mass240.03
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide
SMILESCC(N)(C(=O)Nc1cnns1)C(F)(F)F
InChIInChI=1S/C6H7F3N4OS/c1-5(10,6(7,8)9)4(14)12-3-2-11-13-15-3/h2H,10H2,1H3,(H,12,14)
InChIKeyIGMULGNJCKCLFJ-UHFFFAOYSA-N
XLogP0.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide (CID 114912256) is 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide is CC(N)(C(=O)Nc1cnns1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide?
The InChIKey is IGMULGNJCKCLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4OS/c1-5(10,6(7,8)9)4(14)12-3-2-11-13-15-3/h2H,10H2,1H3,(H,12,14).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide has a molecular weight of 240.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(thiadiazol-5-yl)propanamide is sourced from PubChem (CID 114912256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).