4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide

C8H10F3N3O2S — CID 82722344

IUPAC4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c1-4(2)5-6(17-14-12-5)7(15)13-16-3-8(9,10)11/h4H,3H2,1-2H3,(H,13,15)
InChIKeyYVIURMCUCMKMRP-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.89
Rot. Bonds4

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

4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (PubChem CID 82722344) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
PubChem CID82722344
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c1-4(2)5-6(17-14-12-5)7(15)13-16-3-8(9,10)11/h4H,3H2,1-2H3,(H,13,15)
InChIKeyYVIURMCUCMKMRP-UHFFFAOYSA-N
XLogP1.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The IUPAC name of 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (CID 82722344) is 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The InChIKey is YVIURMCUCMKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-4(2)5-6(17-14-12-5)7(15)13-16-3-8(9,10)11/h4H,3H2,1-2H3,(H,13,15).
What are the key properties of 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide has a molecular weight of 269.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 82722344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).