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

C7H9F3N2S — CID 61392587

IUPACN-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c1-11-3-5-4-12-6(13-5)2-7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyZEUWHSUAEHBTLM-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.97
Rot. Bonds3

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

N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 61392587) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID61392587
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC NameN-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c1-11-3-5-4-12-6(13-5)2-7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyZEUWHSUAEHBTLM-UHFFFAOYSA-N
XLogP1.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine (CID 61392587) is N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine is CNCc1cnc(CC(F)(F)F)s1.
What is the InChIKey of N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZEUWHSUAEHBTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-11-3-5-4-12-6(13-5)2-7(8,9)10/h4,11H,2-3H2,1H3.
What are the key properties of N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 210.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 61392587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).