2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine

C14H18N2OS — CID 28918214

IUPAC2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccc(OCc2nc(CCN)cs2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-10-3-4-13(11(2)7-10)17-8-14-16-12(5-6-15)9-18-14/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeySLGWEEBBEGTNSG-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.84
Rot. Bonds5

About 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 28918214) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID28918214
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccc(OCc2nc(CCN)cs2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-10-3-4-13(11(2)7-10)17-8-14-16-12(5-6-15)9-18-14/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeySLGWEEBBEGTNSG-UHFFFAOYSA-N
XLogP2.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 39099853
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95466296
[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 82133754
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82086302
N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193907
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 28711219
2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94280933
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003308

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine (CID 28918214) is 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine is Cc1ccc(OCc2nc(CCN)cs2)c(C)c1.
What is the InChIKey of 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is SLGWEEBBEGTNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-3-4-13(11(2)7-10)17-8-14-16-12(5-6-15)9-18-14/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 28918214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).