2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

C15H20N2O2S — CID 82427020

IUPAC2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(-c2ccccc2OC)nc1C
InChIInChI=1S/C15H20N2O2S/c1-11-14(10-16-8-9-18-2)20-15(17-11)12-6-4-5-7-13(12)19-3/h4-7,16H,8-10H2,1-3H3
InChIKeyZCPPZLNXRIPOOL-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.86
Rot. Bonds7

About 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82427020) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82427020
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(-c2ccccc2OC)nc1C
InChIInChI=1S/C15H20N2O2S/c1-11-14(10-16-8-9-18-2)20-15(17-11)12-6-4-5-7-13(12)19-3/h4-7,16H,8-10H2,1-3H3
InChIKeyZCPPZLNXRIPOOL-UHFFFAOYSA-N
XLogP2.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82425710
N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427019
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434874
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
CID 110329378
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022
N-ethyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62764515
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
2-(2-methoxyethylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119772227
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 119947767

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82427020) is 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is COCCNCc1sc(-c2ccccc2OC)nc1C.
What is the InChIKey of 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is ZCPPZLNXRIPOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-14(10-16-8-9-18-2)20-15(17-11)12-6-4-5-7-13(12)19-3/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82427020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).