(4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate

C10H11F3N2O3S — CID 142793711

IUPAC(4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCN1CCOC(OC(=O)c2ncsc2C(F)(F)F)C1
InChIInChI=1S/C10H11F3N2O3S/c1-15-2-3-17-6(4-15)18-9(16)7-8(10(11,12)13)19-5-14-7/h5-6H,2-4H2,1H3
InChIKeyMYVVLLOXGUPUBE-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.61
Rot. Bonds2

About (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate

(4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 142793711) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID142793711
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name(4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCN1CCOC(OC(=O)c2ncsc2C(F)(F)F)C1
InChIInChI=1S/C10H11F3N2O3S/c1-15-2-3-17-6(4-15)18-9(16)7-8(10(11,12)13)19-5-14-7/h5-6H,2-4H2,1H3
InChIKeyMYVVLLOXGUPUBE-UHFFFAOYSA-N
XLogP1.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 142793711) is (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CN1CCOC(OC(=O)c2ncsc2C(F)(F)F)C1.
What is the InChIKey of (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is MYVVLLOXGUPUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-15-2-3-17-6(4-15)18-9(16)7-8(10(11,12)13)19-5-14-7/h5-6H,2-4H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
(4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 296.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 142793711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).