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

C10H13F3N2O2S2 — CID 106785431

IUPAC2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(CC1CCS(=O)(=O)C1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)9-15-4-8(18-9)7(14)3-6-1-2-19(16,17)5-6/h4,6-7H,1-3,5,14H2
InChIKeyGHKASTDERMFQRL-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.99
Rot. Bonds3

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

2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106785431) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106785431
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(CC1CCS(=O)(=O)C1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)9-15-4-8(18-9)7(14)3-6-1-2-19(16,17)5-6/h4,6-7H,1-3,5,14H2
InChIKeyGHKASTDERMFQRL-UHFFFAOYSA-N
XLogP1.99
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.99
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)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106785431) is 2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NC(CC1CCS(=O)(=O)C1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is GHKASTDERMFQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c11-10(12,13)9-15-4-8(18-9)7(14)3-6-1-2-19(16,17)5-6/h4,6-7H,1-3,5,14H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(1,1-dioxothiolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 314.35 g/mol, XLogP of 1.99, 3 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)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106785431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).