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

C13H22N2S — CID 104583939

IUPACN-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)(CC)c1nccs1
InChIInChI=1S/C13H22N2S/c1-5-7-8-11(3)15-13(4,6-2)12-14-9-10-16-12/h5,9-11,15H,1,6-8H2,2-4H3
InChIKeyIDBWZGMVKJLGKV-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.71
Rot. Bonds7

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

N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine (PubChem CID 104583939) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine
PubChem CID104583939
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)(CC)c1nccs1
InChIInChI=1S/C13H22N2S/c1-5-7-8-11(3)15-13(4,6-2)12-14-9-10-16-12/h5,9-11,15H,1,6-8H2,2-4H3
InChIKeyIDBWZGMVKJLGKV-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.71
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

N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine
CID 104582125
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
CID 115975948
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 71986720
1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114832596
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 122132301
(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine
CID 130857247
(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 95901404

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine (CID 104583939) is N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine is C=CCCC(C)NC(C)(CC)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine?
The InChIKey is IDBWZGMVKJLGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-5-7-8-11(3)15-13(4,6-2)12-14-9-10-16-12/h5,9-11,15H,1,6-8H2,2-4H3.
What are the key properties of N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine?
N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.71, 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)butan-2-yl]hex-5-en-2-amine is sourced from PubChem (CID 104583939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).