2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine

C14H24N2OS — CID 103854496

IUPAC2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N2OS/c1-5-6-8-17-9-7-15-10-12-11-16-13(18-12)14(2,3)4/h5,11,15H,1,6-10H2,2-4H3
InChIKeyICPBPFGGDPCULS-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.12
Rot. Bonds8

About 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine

2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 103854496) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID103854496
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N2OS/c1-5-6-8-17-9-7-15-10-12-11-16-13(18-12)14(2,3)4/h5,11,15H,1,6-10H2,2-4H3
InChIKeyICPBPFGGDPCULS-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.12
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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Related Compounds

2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62923091
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491448
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethylsulfonylethanamine
CID 103642971
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396411
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82710745
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine
CID 106451759
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664449
5-[(2-but-3-enoxyethylamino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 106401968
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 63032797

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 103854496) is 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine is C=CCCOCCNCc1cnc(C(C)(C)C)s1.
What is the InChIKey of 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is ICPBPFGGDPCULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-6-8-17-9-7-15-10-12-11-16-13(18-12)14(2,3)4/h5,11,15H,1,6-10H2,2-4H3.
What are the key properties of 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 103854496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).