5-(furan-2-yl)-1,3-benzothiazole

C11H7NOS — CID 139851998

IUPAC5-(furan-2-yl)-1,3-benzothiazole
SMILESc1coc(-c2ccc3scnc3c2)c1
InChIInChI=1S/C11H7NOS/c1-2-10(13-5-1)8-3-4-11-9(6-8)12-7-14-11/h1-7H
InChIKeyBVOKPPYJIVPMPJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP3.56
Rot. Bonds1

About 5-(furan-2-yl)-1,3-benzothiazole

5-(furan-2-yl)-1,3-benzothiazole (PubChem CID 139851998) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-(furan-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1,3-benzothiazole
PubChem CID139851998
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name5-(furan-2-yl)-1,3-benzothiazole
SMILESc1coc(-c2ccc3scnc3c2)c1
InChIInChI=1S/C11H7NOS/c1-2-10(13-5-1)8-3-4-11-9(6-8)12-7-14-11/h1-7H
InChIKeyBVOKPPYJIVPMPJ-UHFFFAOYSA-N
XLogP3.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1,3-benzothiazole?
The IUPAC name of 5-(furan-2-yl)-1,3-benzothiazole (CID 139851998) is 5-(furan-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-(furan-2-yl)-1,3-benzothiazole?
The canonical SMILES for 5-(furan-2-yl)-1,3-benzothiazole is c1coc(-c2ccc3scnc3c2)c1.
What is the InChIKey of 5-(furan-2-yl)-1,3-benzothiazole?
The InChIKey is BVOKPPYJIVPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c1-2-10(13-5-1)8-3-4-11-9(6-8)12-7-14-11/h1-7H.
What are the key properties of 5-(furan-2-yl)-1,3-benzothiazole?
5-(furan-2-yl)-1,3-benzothiazole has a molecular weight of 201.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 139851998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).