methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate

C6H8N2OS — CID 76851886

IUPACmethyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate
SMILESCO/C(C)=N/c1nccs1
InChIInChI=1S/C6H8N2OS/c1-5(9-2)8-6-7-3-4-10-6/h3-4H,1-2H3/b8-5+
InChIKeyPIHSTVFBNWTLLP-VMPITWQZSA-N
MW156.21 g/mol
LogP1.84
Rot. Bonds1

About methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate

methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate (PubChem CID 76851886) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate.

Molecular Properties

Compound Namemethyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate
PubChem CID76851886
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Namemethyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate
SMILESCO/C(C)=N/c1nccs1
InChIInChI=1S/C6H8N2OS/c1-5(9-2)8-6-7-3-4-10-6/h3-4H,1-2H3/b8-5+
InChIKeyPIHSTVFBNWTLLP-VMPITWQZSA-N
XLogP1.84
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl N-(1,3-thiazol-2-yl)ethanimidate
CID 54190718
1-cyano-2-(1,3-thiazol-2-yl)guanidine
CID 86185534
2-(sulfinylamino)-1,3-thiazole
CID 15208333
methyl 2-[(E)-1-methoxyethylideneamino]thiophene-3-carboxylate
CID 20678897
N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide
CID 54519971
chloro(1,3-thiazol-2-yl)diazene
CID 71437745
ethyl 3-oxo-2-(1,3-thiazol-2-yldiazenyl)butanoate
CID 102356354
N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine
CID 174414714
[C-[3-(2,4-dimethoxy-6-methylbenzoyl)oxy-3-oxopropyl]-N-(1,3-thiazol-2-yl)carbonimidoyl] 2,4-dimethoxy-6-methylbenzoate
CID 173278058
4-methoxy-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 935743
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide
CID 173338069

Frequently Asked Questions

What is the IUPAC name of methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate?
The IUPAC name of methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate (CID 76851886) is methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate.
What is the SMILES notation for methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate?
The canonical SMILES for methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate is CO/C(C)=N/c1nccs1.
What is the InChIKey of methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate?
The InChIKey is PIHSTVFBNWTLLP-VMPITWQZSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-5(9-2)8-6-7-3-4-10-6/h3-4H,1-2H3/b8-5+.
What are the key properties of methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate?
methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate has a molecular weight of 156.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-N-(1,3-thiazol-2-yl)ethanimidate is sourced from PubChem (CID 76851886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).