2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C11H15F3N2O2S2 — CID 106785698

IUPAC2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(CC1CCS(=O)(=O)C1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2O2S2/c1-15-8(4-7-2-3-20(17,18)6-7)9-5-16-10(19-9)11(12,13)14/h5,7-8,15H,2-4,6H2,1H3
InChIKeySENUOYNOQOBTOH-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.25
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106785698) has the molecular formula C11H15F3N2O2S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106785698
Molecular FormulaC11H15F3N2O2S2
Molecular Weight328.38 g/mol
Exact Mass328.05
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(CC1CCS(=O)(=O)C1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2O2S2/c1-15-8(4-7-2-3-20(17,18)6-7)9-5-16-10(19-9)11(12,13)14/h5,7-8,15H,2-4,6H2,1H3
InChIKeySENUOYNOQOBTOH-UHFFFAOYSA-N
XLogP2.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106785698) is 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CNC(CC1CCS(=O)(=O)C1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is SENUOYNOQOBTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S2/c1-15-8(4-7-2-3-20(17,18)6-7)9-5-16-10(19-9)11(12,13)14/h5,7-8,15H,2-4,6H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 328.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106785698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).