4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide

C6H6F3N3O2S — CID 82722584

IUPAC4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C6H6F3N3O2S/c1-3-4(15-12-10-3)5(13)11-14-2-6(7,8)9/h2H2,1H3,(H,11,13)
InChIKeyDYABIBQQNNPKPP-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.07
Rot. Bonds3

About 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide

4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (PubChem CID 82722584) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
PubChem CID82722584
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C6H6F3N3O2S/c1-3-4(15-12-10-3)5(13)11-14-2-6(7,8)9/h2H2,1H3,(H,11,13)
InChIKeyDYABIBQQNNPKPP-UHFFFAOYSA-N
XLogP1.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide
CID 63888965
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 115427027
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
CID 81341188
1,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)pyrazole-4-carboxamide
CID 81339753
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide
CID 102999194
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 136535933
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 115310439
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81339728
N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (CID 82722584) is 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The InChIKey is DYABIBQQNNPKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c1-3-4(15-12-10-3)5(13)11-14-2-6(7,8)9/h2H2,1H3,(H,11,13).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide has a molecular weight of 241.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 82722584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).