5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide

C5H4F2N4O2S — CID 1499215

IUPAC5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1NC(=O)C(F)F
InChIInChI=1S/C5H4F2N4O2S/c6-2(7)4(13)9-5-1(3(8)12)10-11-14-5/h2H,(H2,8,12)(H,9,13)
InChIKeyYEWKBTRPLINLMP-UHFFFAOYSA-N
MW222.18 g/mol
LogP-0.16
Rot. Bonds3

About 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide

5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide (PubChem CID 1499215) has the molecular formula C5H4F2N4O2S and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide
PubChem CID1499215
Molecular FormulaC5H4F2N4O2S
Molecular Weight222.18 g/mol
Exact Mass222.00
IUPAC Name5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1NC(=O)C(F)F
InChIInChI=1S/C5H4F2N4O2S/c6-2(7)4(13)9-5-1(3(8)12)10-11-14-5/h2H,(H2,8,12)(H,9,13)
InChIKeyYEWKBTRPLINLMP-UHFFFAOYSA-N
XLogP-0.16
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide?
The IUPAC name of 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide (CID 1499215) is 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide?
The canonical SMILES for 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide is NC(=O)c1nnsc1NC(=O)C(F)F.
What is the InChIKey of 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide?
The InChIKey is YEWKBTRPLINLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N4O2S/c6-2(7)4(13)9-5-1(3(8)12)10-11-14-5/h2H,(H2,8,12)(H,9,13).
What are the key properties of 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide?
5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide has a molecular weight of 222.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoroacetyl)amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 1499215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).