[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine

C12H14N2O2S — CID 60889742

IUPAC[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1cscn1
InChIInChI=1S/C12H14N2O2S/c1-15-11-4-2-3-9(5-13)12(11)16-6-10-7-17-8-14-10/h2-4,7-8H,5-6,13H2,1H3
InChIKeyHMPWSERJLSPHDM-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.19
Rot. Bonds5

About [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine

[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine (PubChem CID 60889742) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
PubChem CID60889742
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1cscn1
InChIInChI=1S/C12H14N2O2S/c1-15-11-4-2-3-9(5-13)12(11)16-6-10-7-17-8-14-10/h2-4,7-8H,5-6,13H2,1H3
InChIKeyHMPWSERJLSPHDM-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

[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
2-methoxy-6-[(1,3-thiazol-4-ylmethylamino)methyl]phenol
CID 62732785
2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63987113

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine (CID 60889742) is [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine is COc1cccc(CN)c1OCc1cscn1.
What is the InChIKey of [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine?
The InChIKey is HMPWSERJLSPHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-11-4-2-3-9(5-13)12(11)16-6-10-7-17-8-14-10/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine?
[3-methoxy-2-(1,3-thiazol-4-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 [3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 60889742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).