1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol

C12H14N2O2S — CID 113370181

IUPAC1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(C)(O)c1cnc(N)s1
InChIInChI=1S/C12H14N2O2S/c1-12(15,10-7-14-11(13)17-10)8-5-3-4-6-9(8)16-2/h3-7,15H,1-2H3,(H2,13,14)
InChIKeyXUJMFKCRNYKHSA-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.99
Rot. Bonds3

About 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol

1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol (PubChem CID 113370181) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol
PubChem CID113370181
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(C)(O)c1cnc(N)s1
InChIInChI=1S/C12H14N2O2S/c1-12(15,10-7-14-11(13)17-10)8-5-3-4-6-9(8)16-2/h3-7,15H,1-2H3,(H2,13,14)
InChIKeyXUJMFKCRNYKHSA-UHFFFAOYSA-N
XLogP1.99
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol (CID 113370181) is 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(C)(O)c1cnc(N)s1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol?
The InChIKey is XUJMFKCRNYKHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-12(15,10-7-14-11(13)17-10)8-5-3-4-6-9(8)16-2/h3-7,15H,1-2H3,(H2,13,14).
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol?
1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol has a molecular weight of 250.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 113370181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).