2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide

C7H7F3N2O2S — CID 103790018

IUPAC2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C7H7F3N2O2S/c1-4-11-2-5(15-4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyXOJVRAJAKUSCCR-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide

2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide (PubChem CID 103790018) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
PubChem CID103790018
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C7H7F3N2O2S/c1-4-11-2-5(15-4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyXOJVRAJAKUSCCR-UHFFFAOYSA-N
XLogP1.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide (CID 103790018) is 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NOCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide?
The InChIKey is XOJVRAJAKUSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-4-11-2-5(15-4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13).
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide?
2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide has a molecular weight of 240.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103790018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).