N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

C12H19F3N2OS — CID 55119993

IUPACN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCNC(CCOCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C12H19F3N2OS/c1-3-16-10(4-5-18-8-12(13,14)15)6-11-7-19-9(2)17-11/h7,10,16H,3-6,8H2,1-2H3
InChIKeyRCZQYXWRICPMOM-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.94
Rot. Bonds8

About N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 55119993) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID55119993
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC NameN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCNC(CCOCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C12H19F3N2OS/c1-3-16-10(4-5-18-8-12(13,14)15)6-11-7-19-9(2)17-11/h7,10,16H,3-6,8H2,1-2H3
InChIKeyRCZQYXWRICPMOM-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine 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 N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 55119993) is N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is CCNC(CCOCC(F)(F)F)Cc1csc(C)n1.
What is the InChIKey of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is RCZQYXWRICPMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-3-16-10(4-5-18-8-12(13,14)15)6-11-7-19-9(2)17-11/h7,10,16H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 296.36 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 55119993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).