N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine

C14H28N4S — CID 63725686

IUPACN'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCCNCc1sc(N(C)CCN(C)C)nc1CC
InChIInChI=1S/C14H28N4S/c1-6-8-15-11-13-12(7-2)16-14(19-13)18(5)10-9-17(3)4/h15H,6-11H2,1-5H3
InChIKeyZVIGQMJYLOAULZ-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.20
Rot. Bonds9

About N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63725686) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63725686
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC NameN'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCCNCc1sc(N(C)CCN(C)C)nc1CC
InChIInChI=1S/C14H28N4S/c1-6-8-15-11-13-12(7-2)16-14(19-13)18(5)10-9-17(3)4/h15H,6-11H2,1-5H3
InChIKeyZVIGQMJYLOAULZ-UHFFFAOYSA-N
XLogP2.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine 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'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 63725686) is N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine is CCCNCc1sc(N(C)CCN(C)C)nc1CC.
What is the InChIKey of N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is ZVIGQMJYLOAULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-6-8-15-11-13-12(7-2)16-14(19-13)18(5)10-9-17(3)4/h15H,6-11H2,1-5H3.
What are the key properties of N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 284.47 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63725686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).