2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine

C12H19F3N2OS — CID 103151313

IUPAC2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine
SMILESCCCC(CN)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N2OS/c1-2-3-9(6-16)10-7-19-11(17-10)4-5-18-8-12(13,14)15/h7,9H,2-6,8,16H2,1H3
InChIKeyBYMZYHGCIMHICS-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.11
Rot. Bonds8

About 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine

2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine (PubChem CID 103151313) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine
PubChem CID103151313
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine
SMILESCCCC(CN)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N2OS/c1-2-3-9(6-16)10-7-19-11(17-10)4-5-18-8-12(13,14)15/h7,9H,2-6,8,16H2,1H3
InChIKeyBYMZYHGCIMHICS-UHFFFAOYSA-N
XLogP3.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 103151266
[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 103150149
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine
CID 102929666
N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 103151298
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-2-methylbutan-1-amine
CID 103151365
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 103150135
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 102929672
2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol
CID 19974126
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 103151323
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
CID 102928798
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]pentan-1-amine
CID 103477167
4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole
CID 54966697

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine?
The IUPAC name of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine (CID 103151313) is 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine.
What is the SMILES notation for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine?
The canonical SMILES for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine is CCCC(CN)c1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine?
The InChIKey is BYMZYHGCIMHICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-2-3-9(6-16)10-7-19-11(17-10)4-5-18-8-12(13,14)15/h7,9H,2-6,8,16H2,1H3.
What are the key properties of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine?
2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine has a molecular weight of 296.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine is sourced from PubChem (CID 103151313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).