3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole

C10H5ClN2OS — CID 114734078

IUPAC3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
SMILESClc1nsnc1-c1cc2ccccc2o1
InChIInChI=1S/C10H5ClN2OS/c11-10-9(12-15-13-10)8-5-6-3-1-2-4-7(6)14-8/h1-5H
InChIKeyFPRWYLVIKDQDJY-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.60
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole

3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole (PubChem CID 114734078) has the molecular formula C10H5ClN2OS and a molecular weight of 236.68 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
PubChem CID114734078
Molecular FormulaC10H5ClN2OS
Molecular Weight236.68 g/mol
Exact Mass235.98
IUPAC Name3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
SMILESClc1nsnc1-c1cc2ccccc2o1
InChIInChI=1S/C10H5ClN2OS/c11-10-9(12-15-13-10)8-5-6-3-1-2-4-7(6)14-8/h1-5H
InChIKeyFPRWYLVIKDQDJY-UHFFFAOYSA-N
XLogP3.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
CID 169089879
2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
CID 55181045
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine
CID 114734073
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
6-(1-benzofuran-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102754018
2-(5-methylthiophen-2-yl)-1-benzofuran
CID 24744243
5-(1-benzofuran-2-yl)-1,3-thiazole
CID 18436904

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole (CID 114734078) is 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole is Clc1nsnc1-c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole?
The InChIKey is FPRWYLVIKDQDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2OS/c11-10-9(12-15-13-10)8-5-6-3-1-2-4-7(6)14-8/h1-5H.
What are the key properties of 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole?
3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole has a molecular weight of 236.68 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole is sourced from PubChem (CID 114734078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).