2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid

C6H7F2N3O2S — CID 165462327

IUPAC2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid
SMILESO=C(O)C(F)(F)CNCc1csnn1
InChIInChI=1S/C6H7F2N3O2S/c7-6(8,5(12)13)3-9-1-4-2-14-11-10-4/h2,9H,1,3H2,(H,12,13)
InChIKeySVYNYAXLRCYAHM-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.35
Rot. Bonds5

About 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid

2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid (PubChem CID 165462327) has the molecular formula C6H7F2N3O2S and a molecular weight of 223.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid
PubChem CID165462327
Molecular FormulaC6H7F2N3O2S
Molecular Weight223.20 g/mol
Exact Mass223.02
IUPAC Name2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid
SMILESO=C(O)C(F)(F)CNCc1csnn1
InChIInChI=1S/C6H7F2N3O2S/c7-6(8,5(12)13)3-9-1-4-2-14-11-10-4/h2,9H,1,3H2,(H,12,13)
InChIKeySVYNYAXLRCYAHM-UHFFFAOYSA-N
XLogP0.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid (CID 165462327) is 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid is O=C(O)C(F)(F)CNCc1csnn1.
What is the InChIKey of 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid?
The InChIKey is SVYNYAXLRCYAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2S/c7-6(8,5(12)13)3-9-1-4-2-14-11-10-4/h2,9H,1,3H2,(H,12,13).
What are the key properties of 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid?
2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid has a molecular weight of 223.20 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propanoic acid is sourced from PubChem (CID 165462327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).