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

C11H18N2S — CID 104582125

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1nccs1
InChIInChI=1S/C11H18N2S/c1-3-4-5-10(2)12-7-6-11-13-8-9-14-11/h3,8-10,12H,1,4-7H2,2H3
InChIKeyUJLZVLMQAATJPG-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.63
Rot. Bonds7

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

N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine (PubChem CID 104582125) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine
PubChem CID104582125
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1nccs1
InChIInChI=1S/C11H18N2S/c1-3-4-5-10(2)12-7-6-11-13-8-9-14-11/h3,8-10,12H,1,4-7H2,2H3
InChIKeyUJLZVLMQAATJPG-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115971769
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115715095
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
CID 115889738
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 63241920
N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine
CID 104583939
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine
CID 104582453
1-(2,4-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55174442
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine (CID 104582125) is N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine is C=CCCC(C)NCCc1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine?
The InChIKey is UJLZVLMQAATJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-4-5-10(2)12-7-6-11-13-8-9-14-11/h3,8-10,12H,1,4-7H2,2H3.
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine?
N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 104582125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).