4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide

C10H15F3N2O2S — CID 69292640

IUPAC4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide
SMILESCC1=C(C)N(CCOCC(F)(F)F)C(C(N)=O)S1
InChIInChI=1S/C10H15F3N2O2S/c1-6-7(2)18-9(8(14)16)15(6)3-4-17-5-10(11,12)13/h9H,3-5H2,1-2H3,(H2,14,16)
InChIKeySXZIAZPPGKXVJI-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.68
Rot. Bonds5

About 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide

4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide (PubChem CID 69292640) has the molecular formula C10H15F3N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide
PubChem CID69292640
Molecular FormulaC10H15F3N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC Name4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide
SMILESCC1=C(C)N(CCOCC(F)(F)F)C(C(N)=O)S1
InChIInChI=1S/C10H15F3N2O2S/c1-6-7(2)18-9(8(14)16)15(6)3-4-17-5-10(11,12)13/h9H,3-5H2,1-2H3,(H2,14,16)
InChIKeySXZIAZPPGKXVJI-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide (CID 69292640) is 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide is CC1=C(C)N(CCOCC(F)(F)F)C(C(N)=O)S1.
What is the InChIKey of 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide?
The InChIKey is SXZIAZPPGKXVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S/c1-6-7(2)18-9(8(14)16)15(6)3-4-17-5-10(11,12)13/h9H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide?
4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide has a molecular weight of 284.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 69292640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).