N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide

C6H8F2N4OS — CID 114383742

IUPACN-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cnsn1
InChIInChI=1S/C6H8F2N4OS/c7-6(8,2-9)3-10-5(13)4-1-11-14-12-4/h1H,2-3,9H2,(H,10,13)
InChIKeyOLDBWDPFILLDMQ-UHFFFAOYSA-N
MW222.22 g/mol
LogP-0.14
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 114383742) has the molecular formula C6H8F2N4OS and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID114383742
Molecular FormulaC6H8F2N4OS
Molecular Weight222.22 g/mol
Exact Mass222.04
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cnsn1
InChIInChI=1S/C6H8F2N4OS/c7-6(8,2-9)3-10-5(13)4-1-11-14-12-4/h1H,2-3,9H2,(H,10,13)
InChIKeyOLDBWDPFILLDMQ-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

Analyze N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide
CID 900720
N-(2,2,3,3-Tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 99835136
1-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 65947248
N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 72014244
N-methyl-N-(3,3,3-trifluoropropyl)-2H-triazole-4-carboxamide
CID 78970370
N-ethyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78988551
N-(3,3,3-trifluoropropyl)-2H-triazole-4-carboxamide
CID 79036433
N-(4,4,4-trifluorobutyl)-2H-triazole-4-carboxamide
CID 79039701
N-(2,2-difluoroethyl)-2H-triazole-4-carboxamide
CID 79078956
N-[(2R)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 96547262
N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 96547263
N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide
CID 103528838

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide (CID 114383742) is N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide is NCC(F)(F)CNC(=O)c1cnsn1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is OLDBWDPFILLDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4OS/c7-6(8,2-9)3-10-5(13)4-1-11-14-12-4/h1H,2-3,9H2,(H,10,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-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)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 114383742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).