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

C12H14N2O2S — CID 112640286

IUPAC[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1cncs1
InChIInChI=1S/C12H14N2O2S/c1-15-11-3-2-9(5-13)4-12(11)16-7-10-6-14-8-17-10/h2-4,6,8H,5,7,13H2,1H3
InChIKeyXWVIVCWBLKLHHH-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.19
Rot. Bonds5

About [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine

[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine (PubChem CID 112640286) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
PubChem CID112640286
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1cncs1
InChIInChI=1S/C12H14N2O2S/c1-15-11-3-2-9(5-13)4-12(11)16-7-10-6-14-8-17-10/h2-4,6,8H,5,7,13H2,1H3
InChIKeyXWVIVCWBLKLHHH-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

N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640327
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629
2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643588
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
N-[[3-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 115978862
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
[4-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61496889

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine (CID 112640286) is [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine is COc1ccc(CN)cc1OCc1cncs1.
What is the InChIKey of [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The InChIKey is XWVIVCWBLKLHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-11-3-2-9(5-13)4-12(11)16-7-10-6-14-8-17-10/h2-4,6,8H,5,7,13H2,1H3.
What are the key properties of [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
[4-methoxy-3-(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 [4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 112640286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).