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

C7H10N2O2S — CID 21271229

IUPACethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate
SMILES[H]/N=C(\OCC)C(O)c1ccns1
InChIInChI=1S/C7H10N2O2S/c1-2-11-7(8)6(10)5-3-4-9-12-5/h3-4,6,8,10H,2H2,1H3/b8-7-
InChIKeyWZEYHPSSGXZOMU-FPLPWBNLSA-N
MW186.24 g/mol
LogP1.19
Rot. Bonds3

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

ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate (PubChem CID 21271229) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate
PubChem CID21271229
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate
SMILES[H]/N=C(\OCC)C(O)c1ccns1
InChIInChI=1S/C7H10N2O2S/c1-2-11-7(8)6(10)5-3-4-9-12-5/h3-4,6,8,10H,2H2,1H3/b8-7-
InChIKeyWZEYHPSSGXZOMU-FPLPWBNLSA-N
XLogP1.19
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.19
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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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
Ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride
CID 21271228
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130802936
2-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130840879
6-(1,2-Thiazol-5-yl)-1,4-dioxepan-6-ol
CID 130840884
Methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate
CID 130871556
2,5-Dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
CID 130900900
1-Methoxy-2-(1,2-thiazol-5-yl)propan-2-ol
CID 131001010
3-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 131001966
2-(Methylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 131036683

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate?
The IUPAC name of ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate (CID 21271229) is ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate.
What is the SMILES notation for ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate?
The canonical SMILES for ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate is [H]/N=C(\OCC)C(O)c1ccns1.
What is the InChIKey of ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate?
The InChIKey is WZEYHPSSGXZOMU-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-11-7(8)6(10)5-3-4-9-12-5/h3-4,6,8,10H,2H2,1H3/b8-7-.
What are the key properties of ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate?
ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate has a molecular weight of 186.24 g/mol, XLogP of 1.19, 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 is sourced from PubChem (CID 21271229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).