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

C14H21N3OS — CID 63838094

IUPACN-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(CN(C)Cc2scnc2C)c1
InChIInChI=1S/C14H21N3OS/c1-4-15-6-12-5-13(18-9-12)7-17(3)8-14-11(2)16-10-19-14/h5,9-10,15H,4,6-8H2,1-3H3
InChIKeyMWNLQHHWXLJDOS-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.79
Rot. Bonds7

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

N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine (PubChem CID 63838094) 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-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
PubChem CID63838094
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(CN(C)Cc2scnc2C)c1
InChIInChI=1S/C14H21N3OS/c1-4-15-6-12-5-13(18-9-12)7-17(3)8-14-11(2)16-10-19-14/h5,9-10,15H,4,6-8H2,1-3H3
InChIKeyMWNLQHHWXLJDOS-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-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63838095
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55256758
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754632
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433190
[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine
CID 55256757
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 55261157
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpentan-2-amine
CID 55074909
N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63839651
2-amino-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenol
CID 55259988
2-methyl-N-[[5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62426165
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63838009

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine (CID 63838094) is N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine is CCNCc1coc(CN(C)Cc2scnc2C)c1.
What is the InChIKey of N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is MWNLQHHWXLJDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-15-6-12-5-13(18-9-12)7-17(3)8-14-11(2)16-10-19-14/h5,9-10,15H,4,6-8H2,1-3H3.
What are the key properties of N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine?
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-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-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63838094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).