5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole

C16H11N3OS2 — CID 26733074

IUPAC5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc2nc(SCc3nc(-c4ccsc4)no3)ccc2c1
InChIInChI=1S/C16H11N3OS2/c1-2-4-13-11(3-1)5-6-15(17-13)22-10-14-18-16(19-20-14)12-7-8-21-9-12/h1-9H,10H2
InChIKeyFOISAMABOLMXNB-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.64
Rot. Bonds4

About 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole

5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 26733074) has the molecular formula C16H11N3OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID26733074
Molecular FormulaC16H11N3OS2
Molecular Weight325.42 g/mol
Exact Mass325.03
IUPAC Name5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc2nc(SCc3nc(-c4ccsc4)no3)ccc2c1
InChIInChI=1S/C16H11N3OS2/c1-2-4-13-11(3-1)5-6-15(17-13)22-10-14-18-16(19-20-14)12-7-8-21-9-12/h1-9H,10H2
InChIKeyFOISAMABOLMXNB-UHFFFAOYSA-N
XLogP4.64
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 8738960
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
CID 43249554
3-methyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33345743
2-(2-methylphenyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8889827
2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 18129305
5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 17469667
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-1-ol
CID 65417069
5-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 17445186
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43241506

Frequently Asked Questions

What is the IUPAC name of 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole (CID 26733074) is 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole is c1ccc2nc(SCc3nc(-c4ccsc4)no3)ccc2c1.
What is the InChIKey of 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is FOISAMABOLMXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS2/c1-2-4-13-11(3-1)5-6-15(17-13)22-10-14-18-16(19-20-14)12-7-8-21-9-12/h1-9H,10H2.
What are the key properties of 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 325.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26733074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).