methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride

C6H8ClNO2S — CID 91654387

IUPACmethyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride
SMILESCOC(=O)Cc1nccs1.Cl
InChIInChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-5-7-2-3-10-5;/h2-3H,4H2,1H3;1H
InChIKeyJVKQPGDKNNATEM-UHFFFAOYSA-N
MW193.66 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride

methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride (PubChem CID 91654387) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride
PubChem CID91654387
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Namemethyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride
SMILESCOC(=O)Cc1nccs1.Cl
InChIInChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-5-7-2-3-10-5;/h2-3H,4H2,1H3;1H
InChIKeyJVKQPGDKNNATEM-UHFFFAOYSA-N
XLogP1.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride (CID 91654387) is methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride is COC(=O)Cc1nccs1.Cl.
What is the InChIKey of methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride?
The InChIKey is JVKQPGDKNNATEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-5-7-2-3-10-5;/h2-3H,4H2,1H3;1H.
What are the key properties of methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride?
methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride has a molecular weight of 193.66 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-2-yl)acetate;hydrochloride is sourced from PubChem (CID 91654387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).