5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide

C5H6F2N4OS — CID 130611719

IUPAC5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
SMILESNc1snnc1C(=O)NCC(F)F
InChIInChI=1S/C5H6F2N4OS/c6-2(7)1-9-5(12)3-4(8)13-11-10-3/h2H,1,8H2,(H,9,12)
InChIKeyJBVOCMSCHXAGJE-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.12
Rot. Bonds3

About 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide

5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide (PubChem CID 130611719) has the molecular formula C5H6F2N4OS and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
PubChem CID130611719
Molecular FormulaC5H6F2N4OS
Molecular Weight208.19 g/mol
Exact Mass208.02
IUPAC Name5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
SMILESNc1snnc1C(=O)NCC(F)F
InChIInChI=1S/C5H6F2N4OS/c6-2(7)1-9-5(12)3-4(8)13-11-10-3/h2H,1,8H2,(H,9,12)
InChIKeyJBVOCMSCHXAGJE-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide (CID 130611719) is 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide is Nc1snnc1C(=O)NCC(F)F.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
The InChIKey is JBVOCMSCHXAGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4OS/c6-2(7)1-9-5(12)3-4(8)13-11-10-3/h2H,1,8H2,(H,9,12).
What are the key properties of 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide has a molecular weight of 208.19 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 130611719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).