2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride

C7H13Cl2NO2S — CID 174286433

IUPAC2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride
SMILESCC(=O)OCCN1C=CSC1.Cl.Cl
InChIInChI=1S/C7H11NO2S.2ClH/c1-7(9)10-4-2-8-3-5-11-6-8;;/h3,5H,2,4,6H2,1H3;2*1H
InChIKeyXFHYTLSSRIKJNI-UHFFFAOYSA-N
MW246.16 g/mol
LogP1.87
Rot. Bonds3

About 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride

2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride (PubChem CID 174286433) has the molecular formula C7H13Cl2NO2S and a molecular weight of 246.16 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride
PubChem CID174286433
Molecular FormulaC7H13Cl2NO2S
Molecular Weight246.16 g/mol
Exact Mass245.00
IUPAC Name2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride
SMILESCC(=O)OCCN1C=CSC1.Cl.Cl
InChIInChI=1S/C7H11NO2S.2ClH/c1-7(9)10-4-2-8-3-5-11-6-8;;/h3,5H,2,4,6H2,1H3;2*1H
InChIKeyXFHYTLSSRIKJNI-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride (CID 174286433) is 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride is CC(=O)OCCN1C=CSC1.Cl.Cl.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride?
The InChIKey is XFHYTLSSRIKJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S.2ClH/c1-7(9)10-4-2-8-3-5-11-6-8;;/h3,5H,2,4,6H2,1H3;2*1H.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride?
2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride has a molecular weight of 246.16 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride is sourced from PubChem (CID 174286433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).