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

C18H24N2S — CID 134232635

IUPAC3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C18H24N2S/c1-3-8-15(4-2)11-12-19-14-18-20-13-17(21-18)16-9-6-5-7-10-16/h3,5-7,9-10,13,15,19H,1,4,8,11-12,14H2,2H3
InChIKeyIIOBJNXCLTWRDW-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.89
Rot. Bonds9

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

3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine (PubChem CID 134232635) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine
PubChem CID134232635
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C18H24N2S/c1-3-8-15(4-2)11-12-19-14-18-20-13-17(21-18)16-9-6-5-7-10-16/h3,5-7,9-10,13,15,19H,1,4,8,11-12,14H2,2H3
InChIKeyIIOBJNXCLTWRDW-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.89
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'}

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
5-Phenylthiazole
CID 595209
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
2-Bromo-5-phenyl-1,3-thiazole
CID 10728723
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
[5-(3-Methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155549747
[5-(3-Methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155555668
N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3-thiazole-2-carboxamide
CID 164623440
(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine
CID 68574739
2-Chloro-5-phenyl-1,3-thiazole
CID 21788840
alpha-(Phenylmethyl)-2-thiazolemethanamine
CID 369619
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine (CID 134232635) is 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine is C=CCC(CC)CCNCc1ncc(-c2ccccc2)s1.
What is the InChIKey of 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine?
The InChIKey is IIOBJNXCLTWRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-3-8-15(4-2)11-12-19-14-18-20-13-17(21-18)16-9-6-5-7-10-16/h3,5-7,9-10,13,15,19H,1,4,8,11-12,14H2,2H3.
What are the key properties of 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine?
3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine is sourced from PubChem (CID 134232635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).