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

C9H11F3N2O2S2 — CID 106783585

IUPAC(1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H11F3N2O2S2/c10-9(11,12)8-14-3-6(17-8)7(13)5-1-2-18(15,16)4-5/h3,5,7H,1-2,4,13H2
InChIKeyWGSGXBPLQHCHNV-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.60
Rot. Bonds2

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

(1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783585) has the molecular formula C9H11F3N2O2S2 and a molecular weight of 300.33 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783585
Molecular FormulaC9H11F3N2O2S2
Molecular Weight300.33 g/mol
Exact Mass300.02
IUPAC Name(1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H11F3N2O2S2/c10-9(11,12)8-14-3-6(17-8)7(13)5-1-2-18(15,16)4-5/h3,5,7H,1-2,4,13H2
InChIKeyWGSGXBPLQHCHNV-UHFFFAOYSA-N
XLogP1.60
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783585) is (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cnc(C(F)(F)F)s1)C1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WGSGXBPLQHCHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S2/c10-9(11,12)8-14-3-6(17-8)7(13)5-1-2-18(15,16)4-5/h3,5,7H,1-2,4,13H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 300.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).