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

C10H14ClN3O3S — CID 80618013

IUPACethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3O3S/c1-3-5-14(6-7(15)17-4-2)9(16)8-12-13-10(11)18-8/h3-6H2,1-2H3
InChIKeyPBRADDSNKJMYNY-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.61
Rot. Bonds6

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

ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate (PubChem CID 80618013) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate
PubChem CID80618013
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Nameethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3O3S/c1-3-5-14(6-7(15)17-4-2)9(16)8-12-13-10(11)18-8/h3-6H2,1-2H3
InChIKeyPBRADDSNKJMYNY-UHFFFAOYSA-N
XLogP1.61
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.61
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)-propylamino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate (CID 80618013) is ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1nnc(Cl)s1.
What is the InChIKey of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate?
The InChIKey is PBRADDSNKJMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-3-5-14(6-7(15)17-4-2)9(16)8-12-13-10(11)18-8/h3-6H2,1-2H3.
What are the key properties of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate?
ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-propylamino]acetate has a molecular weight of 291.76 g/mol, XLogP of 1.61, 6 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)-propylamino]acetate is sourced from PubChem (CID 80618013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).