2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine

C14H18N2OS — CID 82102654

IUPAC2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCOc1ccc(CCNCCc2nccs2)cc1
InChIInChI=1S/C14H18N2OS/c1-17-13-4-2-12(3-5-13)6-8-15-9-7-14-16-10-11-18-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyKVPSHPUBLXFZEH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.53
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 82102654) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID82102654
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCOc1ccc(CCNCCc2nccs2)cc1
InChIInChI=1S/C14H18N2OS/c1-17-13-4-2-12(3-5-13)6-8-15-9-7-14-16-10-11-18-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyKVPSHPUBLXFZEH-UHFFFAOYSA-N
XLogP2.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 57476546
N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide
CID 110388302
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
CID 78978381
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 75531875
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (CID 82102654) is 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is COc1ccc(CCNCCc2nccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is KVPSHPUBLXFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-17-13-4-2-12(3-5-13)6-8-15-9-7-14-16-10-11-18-14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 82102654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).