ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate

C7H10N4O3S — CID 43385190

IUPACethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-2-14-5(12)3-8-6(13)10-7-11-9-4-15-7/h4H,2-3H2,1H3,(H2,8,10,11,13)
InChIKeyXMXNAHWKWXGSFW-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.22
Rot. Bonds4

About ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate

ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate (PubChem CID 43385190) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate
PubChem CID43385190
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Nameethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-2-14-5(12)3-8-6(13)10-7-11-9-4-15-7/h4H,2-3H2,1H3,(H2,8,10,11,13)
InChIKeyXMXNAHWKWXGSFW-UHFFFAOYSA-N
XLogP0.22
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate (CID 43385190) is ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate is CCOC(=O)CNC(=O)Nc1nncs1.
What is the InChIKey of ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate?
The InChIKey is XMXNAHWKWXGSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-2-14-5(12)3-8-6(13)10-7-11-9-4-15-7/h4H,2-3H2,1H3,(H2,8,10,11,13).
What are the key properties of ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate?
ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate has a molecular weight of 230.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate is sourced from PubChem (CID 43385190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).