N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide

C6H7F2N3OS — CID 130629023

IUPACN-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCC(F)F)n1
InChIInChI=1S/C6H7F2N3OS/c1-3-10-6(13-11-3)5(12)9-2-4(7)8/h4H,2H2,1H3,(H,9,12)
InChIKeyJQJVWGJIZROIJY-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.84
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 130629023) has the molecular formula C6H7F2N3OS and a molecular weight of 207.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID130629023
Molecular FormulaC6H7F2N3OS
Molecular Weight207.20 g/mol
Exact Mass207.03
IUPAC NameN-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCC(F)F)n1
InChIInChI=1S/C6H7F2N3OS/c1-3-10-6(13-11-3)5(12)9-2-4(7)8/h4H,2H2,1H3,(H,9,12)
InChIKeyJQJVWGJIZROIJY-UHFFFAOYSA-N
XLogP0.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-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-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 131185475
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71866687
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983388
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-5-carboxamide
CID 92070660
N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 105966899
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304650
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304703
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304704
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
CID 107304723
N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304727

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 130629023) is N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCC(F)F)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is JQJVWGJIZROIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3OS/c1-3-10-6(13-11-3)5(12)9-2-4(7)8/h4H,2H2,1H3,(H,9,12).
What are the key properties of N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 207.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 130629023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).