N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine

C14H18N2OS — CID 103775879

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCOc1ccccc1CCNC(C)c1cncs1
InChIInChI=1S/C14H18N2OS/c1-11(14-9-15-10-18-14)16-8-7-12-5-3-4-6-13(12)17-2/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeySKOQHUFEAHVBBT-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.05
Rot. Bonds6

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

N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 103775879) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID103775879
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCOc1ccccc1CCNC(C)c1cncs1
InChIInChI=1S/C14H18N2OS/c1-11(14-9-15-10-18-14)16-8-7-12-5-3-4-6-13(12)17-2/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeySKOQHUFEAHVBBT-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
1-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259657
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940
1,1-dimethoxy-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259984
1-(furan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 113259789
N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115715269
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259694
2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 106345493
1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259982
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 103775879) is N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine is COc1ccccc1CCNC(C)c1cncs1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is SKOQHUFEAHVBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(14-9-15-10-18-14)16-8-7-12-5-3-4-6-13(12)17-2/h3-6,9-11,16H,7-8H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 103775879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).