5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine

C13H16N2O2S2 — CID 43249992

IUPAC5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESCCOc1ccc(OCCSc2cnc(N)s2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-2-16-10-3-5-11(6-4-10)17-7-8-18-12-9-15-13(14)19-12/h3-6,9H,2,7-8H2,1H3,(H2,14,15)
InChIKeyJYNCHTFKJLOJKV-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.30
Rot. Bonds7

About 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine

5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43249992) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43249992
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESCCOc1ccc(OCCSc2cnc(N)s2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-2-16-10-3-5-11(6-4-10)17-7-8-18-12-9-15-13(14)19-12/h3-6,9H,2,7-8H2,1H3,(H2,14,15)
InChIKeyJYNCHTFKJLOJKV-UHFFFAOYSA-N
XLogP3.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43249759
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate
CID 152688417
5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine
CID 43250120
4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299772
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43250190
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47096285
5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 24706770
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine
CID 28918450
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
4-chloro-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]aniline
CID 79525137
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 3321673
2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 5127964

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine (CID 43249992) is 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine is CCOc1ccc(OCCSc2cnc(N)s2)cc1.
What is the InChIKey of 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is JYNCHTFKJLOJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-2-16-10-3-5-11(6-4-10)17-7-8-18-12-9-15-13(14)19-12/h3-6,9H,2,7-8H2,1H3,(H2,14,15).
What are the key properties of 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43249992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).