(E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine

C11H18N2S — CID 115684386

IUPAC(E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cnc(CC)s1
InChIInChI=1S/C11H18N2S/c1-3-5-6-7-12-8-10-9-13-11(4-2)14-10/h3,5,9,12H,4,6-8H2,1-2H3/b5-3+
InChIKeyKIHJXWQEFSIVSJ-HWKANZROSA-N
MW210.35 g/mol
LogP2.76
Rot. Bonds6

About (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine

(E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine (PubChem CID 115684386) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine
PubChem CID115684386
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cnc(CC)s1
InChIInChI=1S/C11H18N2S/c1-3-5-6-7-12-8-10-9-13-11(4-2)14-10/h3,5,9,12H,4,6-8H2,1-2H3/b5-3+
InChIKeyKIHJXWQEFSIVSJ-HWKANZROSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-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 (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine (CID 115684386) is (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1cnc(CC)s1.
What is the InChIKey of (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine?
The InChIKey is KIHJXWQEFSIVSJ-HWKANZROSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-5-6-7-12-8-10-9-13-11(4-2)14-10/h3,5,9,12H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine?
(E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115684386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).