3-benzyl-1,3-benzothiazol-2-one

C14H11NOS — CID 853901

IUPAC3-benzyl-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H11NOS/c16-14-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChIKeyRPMOZTXHJDAKOV-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.11
Rot. Bonds2

About 3-benzyl-1,3-benzothiazol-2-one

3-benzyl-1,3-benzothiazol-2-one (PubChem CID 853901) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-benzyl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-benzyl-1,3-benzothiazol-2-one
PubChem CID853901
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name3-benzyl-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H11NOS/c16-14-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChIKeyRPMOZTXHJDAKOV-UHFFFAOYSA-N
XLogP3.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,3-benzothiazol-2-one?
The IUPAC name of 3-benzyl-1,3-benzothiazol-2-one (CID 853901) is 3-benzyl-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-benzyl-1,3-benzothiazol-2-one?
The canonical SMILES for 3-benzyl-1,3-benzothiazol-2-one is O=c1sc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,3-benzothiazol-2-one?
The InChIKey is RPMOZTXHJDAKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2.
What are the key properties of 3-benzyl-1,3-benzothiazol-2-one?
3-benzyl-1,3-benzothiazol-2-one has a molecular weight of 241.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,3-benzothiazol-2-one is sourced from PubChem (CID 853901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).