1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine

C14H18N2OS — CID 62072174

IUPAC1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
SMILESCc1ncsc1CCOc1cccc(C(C)N)c1
InChIInChI=1S/C14H18N2OS/c1-10(15)12-4-3-5-13(8-12)17-7-6-14-11(2)16-9-18-14/h3-5,8-10H,6-7,15H2,1-2H3
InChIKeyWPTLPNDAEDTNKR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.09
Rot. Bonds5

About 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine

1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine (PubChem CID 62072174) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
PubChem CID62072174
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
SMILESCc1ncsc1CCOc1cccc(C(C)N)c1
InChIInChI=1S/C14H18N2OS/c1-10(15)12-4-3-5-13(8-12)17-7-6-14-11(2)16-9-18-14/h3-5,8-10H,6-7,15H2,1-2H3
InChIKeyWPTLPNDAEDTNKR-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 63370489
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62071333
2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 63056913
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
CID 63056921
(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
CID 170147977
2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55019516
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
CID 104893811
1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 63050480

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine (CID 62072174) is 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine is Cc1ncsc1CCOc1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The InChIKey is WPTLPNDAEDTNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(15)12-4-3-5-13(8-12)17-7-6-14-11(2)16-9-18-14/h3-5,8-10H,6-7,15H2,1-2H3.
What are the key properties of 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 62072174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).