N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C8H10ClF3N2OS — CID 104878523

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ncc(Cl)s1
InChIInChI=1S/C8H10ClF3N2OS/c9-6-3-14-7(16-6)4-13-1-2-15-5-8(10,11)12/h3,13H,1-2,4-5H2
InChIKeyIGVFCHKIVCQWBO-UHFFFAOYSA-N
MW274.69 g/mol
LogP2.46
Rot. Bonds6

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 104878523) has the molecular formula C8H10ClF3N2OS and a molecular weight of 274.69 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID104878523
Molecular FormulaC8H10ClF3N2OS
Molecular Weight274.69 g/mol
Exact Mass274.02
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ncc(Cl)s1
InChIInChI=1S/C8H10ClF3N2OS/c9-6-3-14-7(16-6)4-13-1-2-15-5-8(10,11)12/h3,13H,1-2,4-5H2
InChIKeyIGVFCHKIVCQWBO-UHFFFAOYSA-N
XLogP2.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 104878523) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is IGVFCHKIVCQWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2OS/c9-6-3-14-7(16-6)4-13-1-2-15-5-8(10,11)12/h3,13H,1-2,4-5H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 274.69 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 104878523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).