[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine

C12H14N2O2S — CID 112640291

IUPAC[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
SMILESCOc1ccc(OCc2cncs2)c(CN)c1
InChIInChI=1S/C12H14N2O2S/c1-15-10-2-3-12(9(4-10)5-13)16-7-11-6-14-8-17-11/h2-4,6,8H,5,7,13H2,1H3
InChIKeyWTUZHQXQXDFWJT-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.19
Rot. Bonds5

About [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine

[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine (PubChem CID 112640291) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
PubChem CID112640291
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
SMILESCOc1ccc(OCc2cncs2)c(CN)c1
InChIInChI=1S/C12H14N2O2S/c1-15-10-2-3-12(9(4-10)5-13)16-7-11-6-14-8-17-11/h2-4,6,8H,5,7,13H2,1H3
InChIKeyWTUZHQXQXDFWJT-UHFFFAOYSA-N
XLogP2.19
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640286
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640347
[6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 112640370
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The IUPAC name of [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine (CID 112640291) is [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine is COc1ccc(OCc2cncs2)c(CN)c1.
What is the InChIKey of [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The InChIKey is WTUZHQXQXDFWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-10-2-3-12(9(4-10)5-13)16-7-11-6-14-8-17-11/h2-4,6,8H,5,7,13H2,1H3.
What are the key properties of [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine has a molecular weight of 250.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 112640291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).