2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol

C13H11NOS — CID 142521191

IUPAC2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c(s1)=CCCC=2
InChIInChI=1S/C13H11NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1,3,5-8,15H,2,4H2
InChIKeySTVUDWJMICMULK-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.87
Rot. Bonds1

About 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol

2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol (PubChem CID 142521191) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol
PubChem CID142521191
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c(s1)=CCCC=2
InChIInChI=1S/C13H11NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1,3,5-8,15H,2,4H2
InChIKeySTVUDWJMICMULK-UHFFFAOYSA-N
XLogP1.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol (CID 142521191) is 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol is Oc1ccccc1-c1nc2c(s1)=CCCC=2.
What is the InChIKey of 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol?
The InChIKey is STVUDWJMICMULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1,3,5-8,15H,2,4H2.
What are the key properties of 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol?
2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol has a molecular weight of 229.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 142521191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).