N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C10H15F3N2OS — CID 103476410

IUPACN-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(COCC(F)(F)F)nc1C
InChIInChI=1S/C10H15F3N2OS/c1-3-14-4-8-7(2)15-9(17-8)5-16-6-10(11,12)13/h14H,3-6H2,1-2H3
InChIKeyFWTVNNKAWCZPDU-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.64
Rot. Bonds6

About N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103476410) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103476410
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(COCC(F)(F)F)nc1C
InChIInChI=1S/C10H15F3N2OS/c1-3-14-4-8-7(2)15-9(17-8)5-16-6-10(11,12)13/h14H,3-6H2,1-2H3
InChIKeyFWTVNNKAWCZPDU-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 103476410) is N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(COCC(F)(F)F)nc1C.
What is the InChIKey of N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is FWTVNNKAWCZPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-3-14-4-8-7(2)15-9(17-8)5-16-6-10(11,12)13/h14H,3-6H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 268.30 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103476410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).