methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

C9H10ClN3O5S — CID 80619441

IUPACmethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H10ClN3O5S/c1-17-5(14)3-13(4-6(15)18-2)8(16)7-11-12-9(10)19-7/h3-4H2,1-2H3
InChIKeyQLKXAOXSWHXYGF-UHFFFAOYSA-N
MW307.72 g/mol
LogP-0.02
Rot. Bonds5

About methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 80619441) has the molecular formula C9H10ClN3O5S and a molecular weight of 307.72 g/mol. Its IUPAC name is methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID80619441
Molecular FormulaC9H10ClN3O5S
Molecular Weight307.72 g/mol
Exact Mass307.00
IUPAC Namemethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H10ClN3O5S/c1-17-5(14)3-13(4-6(15)18-2)8(16)7-11-12-9(10)19-7/h3-4H2,1-2H3
InChIKeyQLKXAOXSWHXYGF-UHFFFAOYSA-N
XLogP-0.02
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 80619441) is methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1nnc(Cl)s1.
What is the InChIKey of methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is QLKXAOXSWHXYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O5S/c1-17-5(14)3-13(4-6(15)18-2)8(16)7-11-12-9(10)19-7/h3-4H2,1-2H3.
What are the key properties of methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 307.72 g/mol, XLogP of -0.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 80619441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).