N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine

C14H21N3OS — CID 55074253

IUPACN-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2cscn2)c(C)o1
InChIInChI=1S/C14H21N3OS/c1-4-15-6-14-5-12(11(2)18-14)7-17(3)8-13-9-19-10-16-13/h5,9-10,15H,4,6-8H2,1-3H3
InChIKeyNYUHISZFEJZDEH-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.79
Rot. Bonds7

About N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine

N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine (PubChem CID 55074253) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
PubChem CID55074253
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2cscn2)c(C)o1
InChIInChI=1S/C14H21N3OS/c1-4-15-6-14-5-12(11(2)18-14)7-17(3)8-13-9-19-10-16-13/h5,9-10,15H,4,6-8H2,1-3H3
InChIKeyNYUHISZFEJZDEH-UHFFFAOYSA-N
XLogP2.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
CID 62428436
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 62426653
N-[[5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 62419799
N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426837
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62430691
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 55072431
N-[[5-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55257484
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62421937
2-N-ethyl-2-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191733

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine (CID 55074253) is N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine is CCNCc1cc(CN(C)Cc2cscn2)c(C)o1.
What is the InChIKey of N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is NYUHISZFEJZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-15-6-14-5-12(11(2)18-14)7-17(3)8-13-9-19-10-16-13/h5,9-10,15H,4,6-8H2,1-3H3.
What are the key properties of N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine?
N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 55074253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).