methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate

C12H14N2O3S2 — CID 119051080

IUPACmethyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
SMILESCCCc1nnc(SC(C(=O)OC)c2ccsc2)o1
InChIInChI=1S/C12H14N2O3S2/c1-3-4-9-13-14-12(17-9)19-10(11(15)16-2)8-5-6-18-7-8/h5-7,10H,3-4H2,1-2H3
InChIKeyJNLPUFYKAXJYKV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.09
Rot. Bonds6

About methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate

methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate (PubChem CID 119051080) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
PubChem CID119051080
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Namemethyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
SMILESCCCc1nnc(SC(C(=O)OC)c2ccsc2)o1
InChIInChI=1S/C12H14N2O3S2/c1-3-4-9-13-14-12(17-9)19-10(11(15)16-2)8-5-6-18-7-8/h5-7,10H,3-4H2,1-2H3
InChIKeyJNLPUFYKAXJYKV-UHFFFAOYSA-N
XLogP3.09
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate?
The IUPAC name of methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate (CID 119051080) is methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate?
The canonical SMILES for methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate is CCCc1nnc(SC(C(=O)OC)c2ccsc2)o1.
What is the InChIKey of methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate?
The InChIKey is JNLPUFYKAXJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-3-4-9-13-14-12(17-9)19-10(11(15)16-2)8-5-6-18-7-8/h5-7,10H,3-4H2,1-2H3.
What are the key properties of methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate?
methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate has a molecular weight of 298.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate is sourced from PubChem (CID 119051080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).