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

C6H6F2N4O2S — CID 1499253

IUPAC5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(=O)C(F)F
InChIInChI=1S/C6H6F2N4O2S/c1-9-4(13)2-6(15-12-11-2)10-5(14)3(7)8/h3H,1H3,(H,9,13)(H,10,14)
InChIKeyKIRBHILRIFTFEX-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.10
Rot. Bonds3

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

5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide (PubChem CID 1499253) has the molecular formula C6H6F2N4O2S and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide
PubChem CID1499253
Molecular FormulaC6H6F2N4O2S
Molecular Weight236.20 g/mol
Exact Mass236.02
IUPAC Name5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(=O)C(F)F
InChIInChI=1S/C6H6F2N4O2S/c1-9-4(13)2-6(15-12-11-2)10-5(14)3(7)8/h3H,1H3,(H,9,13)(H,10,14)
InChIKeyKIRBHILRIFTFEX-UHFFFAOYSA-N
XLogP0.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.10
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]-N-methylthiadiazole-4-carboxamide?
The IUPAC name of 5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide (CID 1499253) is 5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for 5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1NC(=O)C(F)F.
What is the InChIKey of 5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide?
The InChIKey is KIRBHILRIFTFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N4O2S/c1-9-4(13)2-6(15-12-11-2)10-5(14)3(7)8/h3H,1H3,(H,9,13)(H,10,14).
What are the key properties of 5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide?
5-[(2,2-difluoroacetyl)amino]-N-methylthiadiazole-4-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.10, 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]-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 1499253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).