ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate

C7H10N2O2S — CID 70581516

IUPACethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate
SMILESCCOC(=O)CC1=NN=CSC1
InChIInChI=1S/C7H10N2O2S/c1-2-11-7(10)3-6-4-12-5-8-9-6/h5H,2-4H2,1H3
InChIKeyXYNMSJWQWYFVPN-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.07
Rot. Bonds3

About ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate

ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate (PubChem CID 70581516) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate
PubChem CID70581516
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate
SMILESCCOC(=O)CC1=NN=CSC1
InChIInChI=1S/C7H10N2O2S/c1-2-11-7(10)3-6-4-12-5-8-9-6/h5H,2-4H2,1H3
InChIKeyXYNMSJWQWYFVPN-UHFFFAOYSA-N
XLogP1.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3H-pyrrol-2-yl)acetate
CID 97291747
ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate
CID 147145011
ethyl 2-(1,2,4-thiadiazol-3-yl)acetate
CID 21458513
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 143766962
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethyl 2-phenylacetate
CID 7590
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate
CID 14458249
ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 66223898
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-(1,3,4-oxadiazol-2-yl)acetate
CID 55212087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate?
The IUPAC name of ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate (CID 70581516) is ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate?
The canonical SMILES for ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate is CCOC(=O)CC1=NN=CSC1.
What is the InChIKey of ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate?
The InChIKey is XYNMSJWQWYFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-11-7(10)3-6-4-12-5-8-9-6/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate?
ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate has a molecular weight of 186.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6H-1,3,4-thiadiazin-5-yl)acetate is sourced from PubChem (CID 70581516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).