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

C16H22N2O2S — CID 62540693

IUPAC2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCCOC)c2nccs2)cc1
InChIInChI=1S/C16H22N2O2S/c1-3-10-20-14-6-4-13(5-7-14)15(17-8-11-19-2)16-18-9-12-21-16/h4-7,9,12,15,17H,3,8,10-11H2,1-2H3
InChIKeyQDSWMFCQWGUJGQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.26
Rot. Bonds9

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

2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62540693) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62540693
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCCOC)c2nccs2)cc1
InChIInChI=1S/C16H22N2O2S/c1-3-10-20-14-6-4-13(5-7-14)15(17-8-11-19-2)16-18-9-12-21-16/h4-7,9,12,15,17H,3,8,10-11H2,1-2H3
InChIKeyQDSWMFCQWGUJGQ-UHFFFAOYSA-N
XLogP3.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.26
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-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
N-[(3-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 81155173
2-methoxy-N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62544424
N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 65101059
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 62795433
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[(2,3-difluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 63669287
2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
CID 62543117
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114077447
methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine (CID 62540693) is 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine is CCCOc1ccc(C(NCCOC)c2nccs2)cc1.
What is the InChIKey of 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is QDSWMFCQWGUJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-10-20-14-6-4-13(5-7-14)15(17-8-11-19-2)16-18-9-12-21-16/h4-7,9,12,15,17H,3,8,10-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62540693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).