methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate

C9H11F3N2O2S — CID 80571046

IUPACmethyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCN(CC(F)(F)F)c1ncc(C(=O)OC)s1
InChIInChI=1S/C9H11F3N2O2S/c1-3-14(5-9(10,11)12)8-13-4-6(17-8)7(15)16-2/h4H,3,5H2,1-2H3
InChIKeyVYKLEVMATKWRTH-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.32
Rot. Bonds4

About methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80571046) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80571046
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Namemethyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCN(CC(F)(F)F)c1ncc(C(=O)OC)s1
InChIInChI=1S/C9H11F3N2O2S/c1-3-14(5-9(10,11)12)8-13-4-6(17-8)7(15)16-2/h4H,3,5H2,1-2H3
InChIKeyVYKLEVMATKWRTH-UHFFFAOYSA-N
XLogP2.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate (CID 80571046) is methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate is CCN(CC(F)(F)F)c1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is VYKLEVMATKWRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-3-14(5-9(10,11)12)8-13-4-6(17-8)7(15)16-2/h4H,3,5H2,1-2H3.
What are the key properties of methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 268.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).