N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide

C6H8F2N4OS — CID 114383417

IUPACN-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cnns1
InChIInChI=1S/C6H8F2N4OS/c7-6(8,2-9)3-10-5(13)4-1-11-12-14-4/h1H,2-3,9H2,(H,10,13)
InChIKeyXOEMYKJMYWBGKT-UHFFFAOYSA-N
MW222.22 g/mol
LogP-0.14
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide

N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide (PubChem CID 114383417) has the molecular formula C6H8F2N4OS and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide
PubChem CID114383417
Molecular FormulaC6H8F2N4OS
Molecular Weight222.22 g/mol
Exact Mass222.04
IUPAC NameN-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cnns1
InChIInChI=1S/C6H8F2N4OS/c7-6(8,2-9)3-10-5(13)4-1-11-12-14-4/h1H,2-3,9H2,(H,10,13)
InChIKeyXOEMYKJMYWBGKT-UHFFFAOYSA-N
XLogP-0.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide (CID 114383417) is N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide is NCC(F)(F)CNC(=O)c1cnns1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide?
The InChIKey is XOEMYKJMYWBGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4OS/c7-6(8,2-9)3-10-5(13)4-1-11-12-14-4/h1H,2-3,9H2,(H,10,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide has a molecular weight of 222.22 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 114383417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).