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

C16H22N2O2S — CID 82425710

IUPAC2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(Cc2ccccc2OC)nc1C
InChIInChI=1S/C16H22N2O2S/c1-12-15(11-17-8-9-19-2)21-16(18-12)10-13-6-4-5-7-14(13)20-3/h4-7,17H,8-11H2,1-3H3
InChIKeyXJLVRZJRQYGWLK-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.79
Rot. Bonds8

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

2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82425710) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82425710
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(Cc2ccccc2OC)nc1C
InChIInChI=1S/C16H22N2O2S/c1-12-15(11-17-8-9-19-2)21-16(18-12)10-13-6-4-5-7-14(13)20-3/h4-7,17H,8-11H2,1-3H3
InChIKeyXJLVRZJRQYGWLK-UHFFFAOYSA-N
XLogP2.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.79
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)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82427020
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 64539293
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63109514
N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404625
2-methoxy-N-[[4-methyl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82426453
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110372288
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098962
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110421321
N-[(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82436086

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82425710) is 2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is COCCNCc1sc(Cc2ccccc2OC)nc1C.
What is the InChIKey of 2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is XJLVRZJRQYGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-15(11-17-8-9-19-2)21-16(18-12)10-13-6-4-5-7-14(13)20-3/h4-7,17H,8-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 2.79, 8 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)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82425710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).