2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C12H11NO2S — CID 64975790

IUPAC2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCc1ccc(-c2nc3c(s2)CCCC3=O)o1
InChIInChI=1S/C12H11NO2S/c1-7-5-6-9(15-7)12-13-11-8(14)3-2-4-10(11)16-12/h5-6H,2-4H2,1H3
InChIKeyJMHJYBWSFGXOMF-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.23
Rot. Bonds1

About 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975790) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975790
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCc1ccc(-c2nc3c(s2)CCCC3=O)o1
InChIInChI=1S/C12H11NO2S/c1-7-5-6-9(15-7)12-13-11-8(14)3-2-4-10(11)16-12/h5-6H,2-4H2,1H3
InChIKeyJMHJYBWSFGXOMF-UHFFFAOYSA-N
XLogP3.23
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975790) is 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is Cc1ccc(-c2nc3c(s2)CCCC3=O)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is JMHJYBWSFGXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-5-6-9(15-7)12-13-11-8(14)3-2-4-10(11)16-12/h5-6H,2-4H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 233.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).