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

C12H14N2O3S2 — CID 124732403

IUPACmethyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
SMILESCCCc1nnc(S[C@@H](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/t10-/m1/s1
InChIKeyJNLPUFYKAXJYKV-SNVBAGLBSA-N
MW298.39 g/mol
LogP3.09
Rot. Bonds6

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

methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate (PubChem CID 124732403) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
PubChem CID124732403
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Namemethyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
SMILESCCCc1nnc(S[C@@H](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/t10-/m1/s1
InChIKeyJNLPUFYKAXJYKV-SNVBAGLBSA-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

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

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Related Compounds

methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
CID 119051080
methyl 2-acetylsulfanyl-2-thiophen-3-ylacetate
CID 11138963
methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate
CID 129432395
2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 28563549
methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
CID 19756647
methyl (2R)-2-thiophen-3-yl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
CID 124883203
methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
ethyl 2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 4215757

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate?
The IUPAC name of methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate (CID 124732403) is methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate?
The canonical SMILES for methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate is CCCc1nnc(S[C@@H](C(=O)OC)c2ccsc2)o1.
What is the InChIKey of methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate?
The InChIKey is JNLPUFYKAXJYKV-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate?
methyl (2R)-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 (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate is sourced from PubChem (CID 124732403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).