[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine

C10H15F3N2OS — CID 103150575

IUPAC[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CCOCC(F)(F)F)sc1CN
InChIInChI=1S/C10H15F3N2OS/c1-2-7-8(5-14)17-9(15-7)3-4-16-6-10(11,12)13/h2-6,14H2,1H3
InChIKeyPCXBNMBKHVARPW-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.29
Rot. Bonds6

About [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine

[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 103150575) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID103150575
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CCOCC(F)(F)F)sc1CN
InChIInChI=1S/C10H15F3N2OS/c1-2-7-8(5-14)17-9(15-7)3-4-16-6-10(11,12)13/h2-6,14H2,1H3
InChIKeyPCXBNMBKHVARPW-UHFFFAOYSA-N
XLogP2.29
TPSA48.14 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 103150575) is [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is CCc1nc(CCOCC(F)(F)F)sc1CN.
What is the InChIKey of [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is PCXBNMBKHVARPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-2-7-8(5-14)17-9(15-7)3-4-16-6-10(11,12)13/h2-6,14H2,1H3.
What are the key properties of [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 268.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103150575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).