ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride

C7H11ClN2O2S — CID 21271228

IUPACethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C(O)c1ccns1
InChIInChI=1S/C7H10N2O2S.ClH/c1-2-11-7(8)6(10)5-3-4-9-12-5;/h3-4,6,8,10H,2H2,1H3;1H/b8-7-;
InChIKeyICFGZPRDSWOEAD-CFYXSCKTSA-N
MW222.70 g/mol
LogP1.61
Rot. Bonds3

About ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride

ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride (PubChem CID 21271228) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride
PubChem CID21271228
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Nameethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C(O)c1ccns1
InChIInChI=1S/C7H10N2O2S.ClH/c1-2-11-7(8)6(10)5-3-4-9-12-5;/h3-4,6,8,10H,2H2,1H3;1H/b8-7-;
InChIKeyICFGZPRDSWOEAD-CFYXSCKTSA-N
XLogP1.61
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride?
The IUPAC name of ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride (CID 21271228) is ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride?
The canonical SMILES for ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride is Cl.[H]/N=C(\OCC)C(O)c1ccns1.
What is the InChIKey of ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride?
The InChIKey is ICFGZPRDSWOEAD-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H10N2O2S.ClH/c1-2-11-7(8)6(10)5-3-4-9-12-5;/h3-4,6,8,10H,2H2,1H3;1H/b8-7-;.
What are the key properties of ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride?
ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride has a molecular weight of 222.70 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride is sourced from PubChem (CID 21271228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).