N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine

C13H16N2OS — CID 112640303

IUPACN-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCc1cncs1
InChIInChI=1S/C13H16N2OS/c1-2-14-7-11-5-3-4-6-13(11)16-9-12-8-15-10-17-12/h3-6,8,10,14H,2,7,9H2,1H3
InChIKeyYJFNWLAIFULJAS-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.83
Rot. Bonds6

About N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine

N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 112640303) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID112640303
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCc1cncs1
InChIInChI=1S/C13H16N2OS/c1-2-14-7-11-5-3-4-6-13(11)16-9-12-8-15-10-17-12/h3-6,8,10,14H,2,7,9H2,1H3
InChIKeyYJFNWLAIFULJAS-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112640397
2-[2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanol
CID 107713207
N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640327
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640482
N-[[3-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 112640473
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
N-[[5-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696647
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine (CID 112640303) is N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1ccccc1OCc1cncs1.
What is the InChIKey of N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is YJFNWLAIFULJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-14-7-11-5-3-4-6-13(11)16-9-12-8-15-10-17-12/h3-6,8,10,14H,2,7,9H2,1H3.
What are the key properties of N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 112640303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).