1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine

C13H16N2O2S — CID 112640362

IUPAC1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCc1cncs1
InChIInChI=1S/C13H16N2O2S/c1-14-6-10-3-4-11(16-2)5-13(10)17-8-12-7-15-9-18-12/h3-5,7,9,14H,6,8H2,1-2H3
InChIKeyKAUDMRUEDGFYJX-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.45
Rot. Bonds6

About 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine

1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 112640362) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID112640362
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCc1cncs1
InChIInChI=1S/C13H16N2O2S/c1-14-6-10-3-4-11(16-2)5-13(10)17-8-12-7-15-9-18-12/h3-5,7,9,14H,6,8H2,1-2H3
InChIKeyKAUDMRUEDGFYJX-UHFFFAOYSA-N
XLogP2.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 115978909
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640373
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine (CID 112640362) is 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OC)cc1OCc1cncs1.
What is the InChIKey of 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is KAUDMRUEDGFYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-14-6-10-3-4-11(16-2)5-13(10)17-8-12-7-15-9-18-12/h3-5,7,9,14H,6,8H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 264.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112640362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).