ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate

C8H10ClN3O3S — CID 80619163

IUPACethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H10ClN3O3S/c1-3-15-5(13)4-12(2)7(14)6-10-11-8(9)16-6/h3-4H2,1-2H3
InChIKeyPSXJNKPFEOSFAC-UHFFFAOYSA-N
MW263.71 g/mol
LogP0.83
Rot. Bonds4

About ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate

ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate (PubChem CID 80619163) has the molecular formula C8H10ClN3O3S and a molecular weight of 263.71 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate
PubChem CID80619163
Molecular FormulaC8H10ClN3O3S
Molecular Weight263.71 g/mol
Exact Mass263.01
IUPAC Nameethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H10ClN3O3S/c1-3-15-5(13)4-12(2)7(14)6-10-11-8(9)16-6/h3-4H2,1-2H3
InChIKeyPSXJNKPFEOSFAC-UHFFFAOYSA-N
XLogP0.83
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate (CID 80619163) is ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1nnc(Cl)s1.
What is the InChIKey of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate?
The InChIKey is PSXJNKPFEOSFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3S/c1-3-15-5(13)4-12(2)7(14)6-10-11-8(9)16-6/h3-4H2,1-2H3.
What are the key properties of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate?
ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate has a molecular weight of 263.71 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-methylamino]acetate is sourced from PubChem (CID 80619163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).