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

C14H18N2OS — CID 28918290

IUPAC2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccc(OCCc2nc(CCN)cs2)cc1
InChIInChI=1S/C14H18N2OS/c1-11-2-4-13(5-3-11)17-9-7-14-16-12(6-8-15)10-18-14/h2-5,10H,6-9,15H2,1H3
InChIKeyFAOXZVCWJSRKFH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.57
Rot. Bonds6

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

2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 28918290) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID28918290
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccc(OCCc2nc(CCN)cs2)cc1
InChIInChI=1S/C14H18N2OS/c1-11-2-4-13(5-3-11)17-9-7-14-16-12(6-8-15)10-18-14/h2-5,10H,6-9,15H2,1H3
InChIKeyFAOXZVCWJSRKFH-UHFFFAOYSA-N
XLogP2.57
TPSA48.14 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516213
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82516227
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
CID 82163122
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745518
[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62330445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine (CID 28918290) is 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine is Cc1ccc(OCCc2nc(CCN)cs2)cc1.
What is the InChIKey of 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is FAOXZVCWJSRKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-2-4-13(5-3-11)17-9-7-14-16-12(6-8-15)10-18-14/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 28918290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).