N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H22F3N3S — CID 62766798

IUPACN-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CC(F)(F)F)nc1CCC
InChIInChI=1S/C13H22F3N3S/c1-4-6-10-11(8-17-7-5-2)20-12(18-10)19(3)9-13(14,15)16/h17H,4-9H2,1-3H3
InChIKeyTZLXWUJFXSGYOK-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.59
Rot. Bonds8

About N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62766798) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62766798
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC NameN-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CC(F)(F)F)nc1CCC
InChIInChI=1S/C13H22F3N3S/c1-4-6-10-11(8-17-7-5-2)20-12(18-10)19(3)9-13(14,15)16/h17H,4-9H2,1-3H3
InChIKeyTZLXWUJFXSGYOK-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-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-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62766798) is N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)CC(F)(F)F)nc1CCC.
What is the InChIKey of N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is TZLXWUJFXSGYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-4-6-10-11(8-17-7-5-2)20-12(18-10)19(3)9-13(14,15)16/h17H,4-9H2,1-3H3.
What are the key properties of N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 309.40 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).