[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate

C7H8N2O2S — CID 6080248

IUPAC[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1nccs1
InChIInChI=1S/C7H8N2O2S/c1-5(9-11-6(2)10)7-8-3-4-12-7/h3-4H,1-2H3/b9-5+
InChIKeyASUHRTXLUOGIRA-WEVVVXLNSA-N
MW184.22 g/mol
LogP1.43
Rot. Bonds2

About [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate

[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate (PubChem CID 6080248) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate
PubChem CID6080248
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1nccs1
InChIInChI=1S/C7H8N2O2S/c1-5(9-11-6(2)10)7-8-3-4-12-7/h3-4H,1-2H3/b9-5+
InChIKeyASUHRTXLUOGIRA-WEVVVXLNSA-N
XLogP1.43
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Thiazoleacetic acid
CID 21220663
Sodium 2-(1,3-thiazol-2-yl)acetate
CID 73994900
Methyl 2-(1,3-thiazol-2-yl)acetate hydrochloride
CID 91654387
Methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] pent-4-ynoate
CID 44521938
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] piperidine-1-carboxylate
CID 44521939
[1-(1,3-Thiazol-2-yl)ethylideneamino] acetate
CID 2806061
Sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 134690995
Potassium 2-(1,3-thiazol-2-yl)propanoate
CID 137943676
[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate
CID 5714050
Methyl 2-(thiazol-2-yl)propanoate
CID 13331888
Ethyl (1,3-thiazol-2-yl)acetate
CID 21835228

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate?
The IUPAC name of [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate (CID 6080248) is [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate.
What is the SMILES notation for [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate?
The canonical SMILES for [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate is CC(=O)O/N=C(\C)c1nccs1.
What is the InChIKey of [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate?
The InChIKey is ASUHRTXLUOGIRA-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-5(9-11-6(2)10)7-8-3-4-12-7/h3-4H,1-2H3/b9-5+.
What are the key properties of [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate?
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate has a molecular weight of 184.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate is sourced from PubChem (CID 6080248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).