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

C9H13F3N2S — CID 62403377

IUPACN-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CC(F)(F)F)nc1C
InChIInChI=1S/C9H13F3N2S/c1-3-13-5-7-6(2)14-8(15-7)4-9(10,11)12/h13H,3-5H2,1-2H3
InChIKeyDLDPJZNHFHXDRW-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.67
Rot. Bonds4

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

N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62403377) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62403377
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CC(F)(F)F)nc1C
InChIInChI=1S/C9H13F3N2S/c1-3-13-5-7-6(2)14-8(15-7)4-9(10,11)12/h13H,3-5H2,1-2H3
InChIKeyDLDPJZNHFHXDRW-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62403377) is N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CC(F)(F)F)nc1C.
What is the InChIKey of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is DLDPJZNHFHXDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-3-13-5-7-6(2)14-8(15-7)4-9(10,11)12/h13H,3-5H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 238.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62403377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).