7-thiophen-3-yl-1,2-benzothiazole

C11H7NS2 — CID 54441746

IUPAC7-thiophen-3-yl-1,2-benzothiazole
SMILESc1cc(-c2ccsc2)c2sncc2c1
InChIInChI=1S/C11H7NS2/c1-2-8-6-12-14-11(8)10(3-1)9-4-5-13-7-9/h1-7H
InChIKeyXRZPJIWCFSCFEA-UHFFFAOYSA-N
MW217.32 g/mol
LogP4.02
Rot. Bonds1

About 7-thiophen-3-yl-1,2-benzothiazole

7-thiophen-3-yl-1,2-benzothiazole (PubChem CID 54441746) has the molecular formula C11H7NS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 7-thiophen-3-yl-1,2-benzothiazole.

Molecular Properties

Compound Name7-thiophen-3-yl-1,2-benzothiazole
PubChem CID54441746
Molecular FormulaC11H7NS2
Molecular Weight217.32 g/mol
Exact Mass217.00
IUPAC Name7-thiophen-3-yl-1,2-benzothiazole
SMILESc1cc(-c2ccsc2)c2sncc2c1
InChIInChI=1S/C11H7NS2/c1-2-8-6-12-14-11(8)10(3-1)9-4-5-13-7-9/h1-7H
InChIKeyXRZPJIWCFSCFEA-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-3-yl-1,2-benzothiazole?
The IUPAC name of 7-thiophen-3-yl-1,2-benzothiazole (CID 54441746) is 7-thiophen-3-yl-1,2-benzothiazole.
What is the SMILES notation for 7-thiophen-3-yl-1,2-benzothiazole?
The canonical SMILES for 7-thiophen-3-yl-1,2-benzothiazole is c1cc(-c2ccsc2)c2sncc2c1.
What is the InChIKey of 7-thiophen-3-yl-1,2-benzothiazole?
The InChIKey is XRZPJIWCFSCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS2/c1-2-8-6-12-14-11(8)10(3-1)9-4-5-13-7-9/h1-7H.
What are the key properties of 7-thiophen-3-yl-1,2-benzothiazole?
7-thiophen-3-yl-1,2-benzothiazole has a molecular weight of 217.32 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-3-yl-1,2-benzothiazole is sourced from PubChem (CID 54441746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).