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

C9H13F3N2OS — CID 62445594

IUPACN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2OS/c1-2-13-3-8-14-7(5-16-8)4-15-6-9(10,11)12/h5,13H,2-4,6H2,1H3
InChIKeyRRWXYWSKHWRRHS-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.33
Rot. Bonds6

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

N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62445594) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62445594
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC NameN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2OS/c1-2-13-3-8-14-7(5-16-8)4-15-6-9(10,11)12/h5,13H,2-4,6H2,1H3
InChIKeyRRWXYWSKHWRRHS-UHFFFAOYSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 62445594) is N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(COCC(F)(F)F)cs1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is RRWXYWSKHWRRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-2-13-3-8-14-7(5-16-8)4-15-6-9(10,11)12/h5,13H,2-4,6H2,1H3.
What are the key properties of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 254.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62445594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).