3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide

C5H6F2N4OS — CID 164646475

IUPAC3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide
SMILESNCC(F)(F)C(=O)Nc1csnn1
InChIInChI=1S/C5H6F2N4OS/c6-5(7,2-8)4(12)9-3-1-13-11-10-3/h1H,2,8H2,(H,9,12)
InChIKeyBIWMWGQTDQVCEQ-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.07
Rot. Bonds3

About 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide

3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide (PubChem CID 164646475) has the molecular formula C5H6F2N4OS and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide
PubChem CID164646475
Molecular FormulaC5H6F2N4OS
Molecular Weight208.19 g/mol
Exact Mass208.02
IUPAC Name3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide
SMILESNCC(F)(F)C(=O)Nc1csnn1
InChIInChI=1S/C5H6F2N4OS/c6-5(7,2-8)4(12)9-3-1-13-11-10-3/h1H,2,8H2,(H,9,12)
InChIKeyBIWMWGQTDQVCEQ-UHFFFAOYSA-N
XLogP0.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide?
The IUPAC name of 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide (CID 164646475) is 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide.
What is the SMILES notation for 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide?
The canonical SMILES for 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide is NCC(F)(F)C(=O)Nc1csnn1.
What is the InChIKey of 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide?
The InChIKey is BIWMWGQTDQVCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4OS/c6-5(7,2-8)4(12)9-3-1-13-11-10-3/h1H,2,8H2,(H,9,12).
What are the key properties of 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide?
3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide has a molecular weight of 208.19 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-N-(thiadiazol-4-yl)propanamide is sourced from PubChem (CID 164646475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).