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

C13H19N3OS — CID 62426653

IUPACN-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN(C)Cc1cscn1
InChIInChI=1S/C13H19N3OS/c1-3-14-6-13-11(4-5-17-13)7-16(2)8-12-9-18-10-15-12/h4-5,9-10,14H,3,6-8H2,1-2H3
InChIKeyRYKAFMOCQYULLE-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.48
Rot. Bonds7

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

N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62426653) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
PubChem CID62426653
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN(C)Cc1cscn1
InChIInChI=1S/C13H19N3OS/c1-3-14-6-13-11(4-5-17-13)7-16(2)8-12-9-18-10-15-12/h4-5,9-10,14H,3,6-8H2,1-2H3
InChIKeyRYKAFMOCQYULLE-UHFFFAOYSA-N
XLogP2.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62425932
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62426832
N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 55074253
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62461191
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62438666
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413591
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426837
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631
N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 62754240
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine (CID 62426653) is N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1CN(C)Cc1cscn1.
What is the InChIKey of N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is RYKAFMOCQYULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-14-6-13-11(4-5-17-13)7-16(2)8-12-9-18-10-15-12/h4-5,9-10,14H,3,6-8H2,1-2H3.
What are the key properties of N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62426653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).