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

C10H13F3N2O2S2 — CID 106783586

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13F3N2O2S2/c1-14-8(6-2-3-19(16,17)5-6)7-4-15-9(18-7)10(11,12)13/h4,6,8,14H,2-3,5H2,1H3
InChIKeyIERKHHMCJSKVIW-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.86
Rot. Bonds3

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

1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783586) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783586
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13F3N2O2S2/c1-14-8(6-2-3-19(16,17)5-6)7-4-15-9(18-7)10(11,12)13/h4,6,8,14H,2-3,5H2,1H3
InChIKeyIERKHHMCJSKVIW-UHFFFAOYSA-N
XLogP1.86
TPSA59.06 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783586) is 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1cnc(C(F)(F)F)s1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is IERKHHMCJSKVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c1-14-8(6-2-3-19(16,17)5-6)7-4-15-9(18-7)10(11,12)13/h4,6,8,14H,2-3,5H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 314.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).