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

C15H20N2O2S — CID 62543228

IUPAC2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C15H20N2O2S/c1-11-15(12-4-6-13(19-3)7-5-12)17-14(20-11)10-16-8-9-18-2/h4-7,16H,8-10H2,1-3H3
InChIKeyTTZDZHDFIRMFCG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.86
Rot. Bonds7

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

2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62543228) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62543228
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C15H20N2O2S/c1-11-15(12-4-6-13(19-3)7-5-12)17-14(20-11)10-16-8-9-18-2/h4-7,16H,8-10H2,1-3H3
InChIKeyTTZDZHDFIRMFCG-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

N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
CID 62544682
2-methoxy-N-[[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543721
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102677
methyl 2-[(2-methoxyethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422071
2-methoxy-N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623634
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide
CID 47070958
4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole
CID 60587964

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine (CID 62543228) is 2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine is COCCNCc1nc(-c2ccc(OC)cc2)c(C)s1.
What is the InChIKey of 2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is TTZDZHDFIRMFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-15(12-4-6-13(19-3)7-5-12)17-14(20-11)10-16-8-9-18-2/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-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-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62543228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).