ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate

C8H12N2OS — CID 62798653

IUPACethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate
SMILES[H]/N=C(/Cc1csc(C)n1)OCC
InChIInChI=1S/C8H12N2OS/c1-3-11-8(9)4-7-5-12-6(2)10-7/h5,9H,3-4H2,1-2H3/b9-8-
InChIKeyOPPVCOHRNOLZRJ-HJWRWDBZSA-N
MW184.26 g/mol
LogP2.01
Rot. Bonds3

About ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate

ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate (PubChem CID 62798653) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate
PubChem CID62798653
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Nameethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate
SMILES[H]/N=C(/Cc1csc(C)n1)OCC
InChIInChI=1S/C8H12N2OS/c1-3-11-8(9)4-7-5-12-6(2)10-7/h5,9H,3-4H2,1-2H3/b9-8-
InChIKeyOPPVCOHRNOLZRJ-HJWRWDBZSA-N
XLogP2.01
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
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

1,1-diethoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79495928
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735
3-ethyl-3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 116747467
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole
CID 143071473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate?
The IUPAC name of ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate (CID 62798653) is ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate.
What is the SMILES notation for ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate?
The canonical SMILES for ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate is [H]/N=C(/Cc1csc(C)n1)OCC.
What is the InChIKey of ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate?
The InChIKey is OPPVCOHRNOLZRJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-11-8(9)4-7-5-12-6(2)10-7/h5,9H,3-4H2,1-2H3/b9-8-.
What are the key properties of ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate?
ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate has a molecular weight of 184.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate is sourced from PubChem (CID 62798653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).