N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine

C13H24N2S — CID 115726821

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
SMILESCCc1cnc(C(C)NC(CC)C(C)C)s1
InChIInChI=1S/C13H24N2S/c1-6-11-8-14-13(16-11)10(5)15-12(7-2)9(3)4/h8-10,12,15H,6-7H2,1-5H3
InChIKeyZPYZFSFGVHRITE-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.79
Rot. Bonds6

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine (PubChem CID 115726821) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
PubChem CID115726821
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
SMILESCCc1cnc(C(C)NC(CC)C(C)C)s1
InChIInChI=1S/C13H24N2S/c1-6-11-8-14-13(16-11)10(5)15-12(7-2)9(3)4/h8-10,12,15H,6-7H2,1-5H3
InChIKeyZPYZFSFGVHRITE-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-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

1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 115726807
5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107707104
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 112700494
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 99637053
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 112700496
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 112551903
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine (CID 115726821) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine is CCc1cnc(C(C)NC(CC)C(C)C)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine?
The InChIKey is ZPYZFSFGVHRITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-11-8-14-13(16-11)10(5)15-12(7-2)9(3)4/h8-10,12,15H,6-7H2,1-5H3.
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 115726821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).