5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline

C13H17N3OS — CID 113305341

IUPAC5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
SMILESCOc1ccc(CNCCc2cscn2)c(N)c1
InChIInChI=1S/C13H17N3OS/c1-17-12-3-2-10(13(14)6-12)7-15-5-4-11-8-18-9-16-11/h2-3,6,8-9,15H,4-5,7,14H2,1H3
InChIKeyJMUJQMGRUMGAEA-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.07
Rot. Bonds6

About 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline

5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline (PubChem CID 113305341) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
PubChem CID113305341
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
SMILESCOc1ccc(CNCCc2cscn2)c(N)c1
InChIInChI=1S/C13H17N3OS/c1-17-12-3-2-10(13(14)6-12)7-15-5-4-11-8-18-9-16-11/h2-3,6,8-9,15H,4-5,7,14H2,1H3
InChIKeyJMUJQMGRUMGAEA-UHFFFAOYSA-N
XLogP2.07
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829548
5-bromo-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 79713294
5-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 106052573
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
CID 63824853
2-methyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 63824138
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844
N-[(2-bromo-4-chlorophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 81498822
2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 61269283
1-(2,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831507
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830404
5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 115413846
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline?
The IUPAC name of 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline (CID 113305341) is 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline.
What is the SMILES notation for 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline?
The canonical SMILES for 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline is COc1ccc(CNCCc2cscn2)c(N)c1.
What is the InChIKey of 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline?
The InChIKey is JMUJQMGRUMGAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-17-12-3-2-10(13(14)6-12)7-15-5-4-11-8-18-9-16-11/h2-3,6,8-9,15H,4-5,7,14H2,1H3.
What are the key properties of 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline?
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline has a molecular weight of 263.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline is sourced from PubChem (CID 113305341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).