ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate

C11H11N3O2S — CID 118069625

IUPACethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)cn2)ns1
InChIInChI=1S/C11H11N3O2S/c1-3-16-11(15)10-13-9(14-17-10)8-5-4-7(2)6-12-8/h4-6H,3H2,1-2H3
InChIKeySJSDDPQXOLRLCN-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.09
Rot. Bonds3

About ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate

ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate (PubChem CID 118069625) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate
PubChem CID118069625
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Nameethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)cn2)ns1
InChIInChI=1S/C11H11N3O2S/c1-3-16-11(15)10-13-9(14-17-10)8-5-4-7(2)6-12-8/h4-6H,3H2,1-2H3
InChIKeySJSDDPQXOLRLCN-UHFFFAOYSA-N
XLogP2.09
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate (CID 118069625) is ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate is CCOC(=O)c1nc(-c2ccc(C)cn2)ns1.
What is the InChIKey of ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate?
The InChIKey is SJSDDPQXOLRLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-3-16-11(15)10-13-9(14-17-10)8-5-4-7(2)6-12-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate?
ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate has a molecular weight of 249.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methyl-2-pyridinyl)-1,2,4-thiadiazole-5-carboxylate is sourced from PubChem (CID 118069625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).