2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole

C14H6ClFN2OS2 — CID 653520

IUPAC2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1ccc2c(Cl)c(-c3nnc(-c4cccs4)o3)sc2c1
InChIInChI=1S/C14H6ClFN2OS2/c15-11-8-4-3-7(16)6-10(8)21-12(11)14-18-17-13(19-14)9-2-1-5-20-9/h1-6H
InChIKeyJYPBOONJVLNNFU-UHFFFAOYSA-N
MW336.80 g/mol
LogP5.47
Rot. Bonds2

About 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole

2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 653520) has the molecular formula C14H6ClFN2OS2 and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID653520
Molecular FormulaC14H6ClFN2OS2
Molecular Weight336.80 g/mol
Exact Mass335.96
IUPAC Name2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1ccc2c(Cl)c(-c3nnc(-c4cccs4)o3)sc2c1
InChIInChI=1S/C14H6ClFN2OS2/c15-11-8-4-3-7(16)6-10(8)21-12(11)14-18-17-13(19-14)9-2-1-5-20-9/h1-6H
InChIKeyJYPBOONJVLNNFU-UHFFFAOYSA-N
XLogP5.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.80
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
CID 707664
2-[(4-Chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857326
2-(3-Chloro-1-benzothiophen-2-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
CID 1588040
2-(4-Chlorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2487330
2-(4-Fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2563873
2-[(4-Fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 5308698
2-[[5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 2514699
2-(3,4-Dichloro-benzo[b]thiophen-2-yl)-5-phenyl-[1,3,4]oxadiazole
CID 808827
2-(2-Chlorophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 3594734
2-(4-Chlorophenyl)-5-(2-thienyl)-1,3,4-oxadiazole
CID 790251
2-(3-Chlorothiophen-2-yl)-5-(2-(trifluoromethyl)phenyl)-1,3,4-oxadiazole
CID 2814392
2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3971451

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 653520) is 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole is Fc1ccc2c(Cl)c(-c3nnc(-c4cccs4)o3)sc2c1.
What is the InChIKey of 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is JYPBOONJVLNNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClFN2OS2/c15-11-8-4-3-7(16)6-10(8)21-12(11)14-18-17-13(19-14)9-2-1-5-20-9/h1-6H.
What are the key properties of 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 336.80 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 653520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).