5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol

C13H16N2O2S — CID 61282140

IUPAC5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
SMILESCCNCc1cnc(-c2ccc(OC)c(O)c2)s1
InChIInChI=1S/C13H16N2O2S/c1-3-14-7-10-8-15-13(18-10)9-4-5-12(17-2)11(16)6-9/h4-6,8,14,16H,3,7H2,1-2H3
InChIKeyFYWOAOGZYAAEJY-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.63
Rot. Bonds5

About 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol

5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol (PubChem CID 61282140) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
PubChem CID61282140
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
SMILESCCNCc1cnc(-c2ccc(OC)c(O)c2)s1
InChIInChI=1S/C13H16N2O2S/c1-3-14-7-10-8-15-13(18-10)9-4-5-12(17-2)11(16)6-9/h4-6,8,14,16H,3,7H2,1-2H3
InChIKeyFYWOAOGZYAAEJY-UHFFFAOYSA-N
XLogP2.63
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol (CID 61282140) is 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol is CCNCc1cnc(-c2ccc(OC)c(O)c2)s1.
What is the InChIKey of 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol?
The InChIKey is FYWOAOGZYAAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-14-7-10-8-15-13(18-10)9-4-5-12(17-2)11(16)6-9/h4-6,8,14,16H,3,7H2,1-2H3.
What are the key properties of 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol?
5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol has a molecular weight of 264.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol is sourced from PubChem (CID 61282140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).