5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C15H14N2O2S2 — CID 33298119

IUPAC5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(S[C@H](C)c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H14N2O2S2/c1-10(21-12-7-5-11(18-2)6-8-12)15-16-14(17-19-15)13-4-3-9-20-13/h3-10H,1-2H3/t10-/m1/s1
InChIKeySORZXJLCZKKSNS-SNVBAGLBSA-N
MW318.42 g/mol
LogP4.66
Rot. Bonds5

About 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 33298119) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID33298119
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(S[C@H](C)c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H14N2O2S2/c1-10(21-12-7-5-11(18-2)6-8-12)15-16-14(17-19-15)13-4-3-9-20-13/h3-10H,1-2H3/t10-/m1/s1
InChIKeySORZXJLCZKKSNS-SNVBAGLBSA-N
XLogP4.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S)-1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33291063
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
methyl (3R)-3-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylbutanoate
CID 96550466
5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78853239
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 134005593
3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 33273449
6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
CID 55640401
[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl] N,N-diethylcarbamodithioate
CID 52574666
2-(1,3-benzodioxol-5-yl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole
CID 55593098
N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42954108

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 33298119) is 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is COc1ccc(S[C@H](C)c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is SORZXJLCZKKSNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-10(21-12-7-5-11(18-2)6-8-12)15-16-14(17-19-15)13-4-3-9-20-13/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 318.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 33298119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).