3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine

C16H22N2S2 — CID 134232818

IUPAC3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1csc(-c2cccs2)n1
InChIInChI=1S/C16H22N2S2/c1-3-6-13(4-2)8-9-17-11-14-12-20-16(18-14)15-7-5-10-19-15/h3,5,7,10,12-13,17H,1,4,6,8-9,11H2,2H3
InChIKeyHURUPJMLDPCQGG-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.95
Rot. Bonds9

About 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine

3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine (PubChem CID 134232818) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine
PubChem CID134232818
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC Name3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1csc(-c2cccs2)n1
InChIInChI=1S/C16H22N2S2/c1-3-6-13(4-2)8-9-17-11-14-12-20-16(18-14)15-7-5-10-19-15/h3,5,7,10,12-13,17H,1,4,6,8-9,11H2,2H3
InChIKeyHURUPJMLDPCQGG-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine (CID 134232818) is 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine is C=CCC(CC)CCNCc1csc(-c2cccs2)n1.
What is the InChIKey of 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine?
The InChIKey is HURUPJMLDPCQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-3-6-13(4-2)8-9-17-11-14-12-20-16(18-14)15-7-5-10-19-15/h3,5,7,10,12-13,17H,1,4,6,8-9,11H2,2H3.
What are the key properties of 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine?
3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine has a molecular weight of 306.50 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine is sourced from PubChem (CID 134232818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).