N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

C12H19F3N2OS — CID 103150558

IUPACN-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CCOCC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C12H19F3N2OS/c1-8(2)16-6-10-9(3)17-11(19-10)4-5-18-7-12(13,14)15/h8,16H,4-7H2,1-3H3
InChIKeyJRUHRMGIDXHVFE-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.07
Rot. Bonds7

About N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 103150558) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID103150558
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC NameN-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CCOCC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C12H19F3N2OS/c1-8(2)16-6-10-9(3)17-11(19-10)4-5-18-7-12(13,14)15/h8,16H,4-7H2,1-3H3
InChIKeyJRUHRMGIDXHVFE-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-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

Related Compounds

Methyl((4-methyl-2-propyl-1,3-thiazol-5-yl)methyl)amine
CID 62402846
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 97582952
(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 125438175
N-methyl-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 164642780
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490310
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491347
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402337
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402519
N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
CID 62402853
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62403377
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403925
2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62404281

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 103150558) is N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(CCOCC(F)(F)F)sc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is JRUHRMGIDXHVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-8(2)16-6-10-9(3)17-11(19-10)4-5-18-7-12(13,14)15/h8,16H,4-7H2,1-3H3.
What are the key properties of N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 296.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103150558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).