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

C11H9NOS — CID 3006716

IUPAC2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole
SMILESc1coc(C2Nc3ccccc3S2)c1
InChIInChI=1S/C11H9NOS/c1-2-6-10-8(4-1)12-11(14-10)9-5-3-7-13-9/h1-7,11-12H
InChIKeyHRGDJJAIIYBMSY-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.50
Rot. Bonds1

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

2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole (PubChem CID 3006716) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole
PubChem CID3006716
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole
SMILESc1coc(C2Nc3ccccc3S2)c1
InChIInChI=1S/C11H9NOS/c1-2-6-10-8(4-1)12-11(14-10)9-5-3-7-13-9/h1-7,11-12H
InChIKeyHRGDJJAIIYBMSY-UHFFFAOYSA-N
XLogP3.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole (CID 3006716) is 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole is c1coc(C2Nc3ccccc3S2)c1.
What is the InChIKey of 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is HRGDJJAIIYBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-2-6-10-8(4-1)12-11(14-10)9-5-3-7-13-9/h1-7,11-12H.
What are the key properties of 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole?
2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 203.27 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 3006716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).