ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate

C11H11N3O2S2 — CID 103613540

IUPACethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2nnc(C)s2)nc1
InChIInChI=1S/C11H11N3O2S2/c1-3-16-10(15)8-4-5-9(12-6-8)18-11-14-13-7(2)17-11/h4-6H,3H2,1-2H3
InChIKeyPEMLAYQJLGLRGU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.57
Rot. Bonds4

About ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate

ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate (PubChem CID 103613540) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
PubChem CID103613540
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Nameethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2nnc(C)s2)nc1
InChIInChI=1S/C11H11N3O2S2/c1-3-16-10(15)8-4-5-9(12-6-8)18-11-14-13-7(2)17-11/h4-6H,3H2,1-2H3
InChIKeyPEMLAYQJLGLRGU-UHFFFAOYSA-N
XLogP2.57
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate
CID 31536327
ethyl 6-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate
CID 31536868
ethyl 6-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate
CID 31536903
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543
ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
CID 114075140
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
ethyl 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate
CID 80605209
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
ethyl 6-(1-benzylimidazol-2-yl)sulfanylpyridine-3-carboxylate
CID 31536166
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
CID 136919468

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate (CID 103613540) is ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(Sc2nnc(C)s2)nc1.
What is the InChIKey of ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate?
The InChIKey is PEMLAYQJLGLRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-3-16-10(15)8-4-5-9(12-6-8)18-11-14-13-7(2)17-11/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate?
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate is sourced from PubChem (CID 103613540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).