thieno[3,2-g][1,3]benzothiazole

C9H5NS2 — CID 45077418

IUPACthieno[3,2-g][1,3]benzothiazole
SMILESc1cc2ccc3ncsc3c2s1
InChIInChI=1S/C9H5NS2/c1-2-7-9(12-5-10-7)8-6(1)3-4-11-8/h1-5H
InChIKeyOMLSVERONWZGEC-UHFFFAOYSA-N
MW191.28 g/mol
LogP3.51
Rot. Bonds

About thieno[3,2-g][1,3]benzothiazole

thieno[3,2-g][1,3]benzothiazole (PubChem CID 45077418) has the molecular formula C9H5NS2 and a molecular weight of 191.28 g/mol. Its IUPAC name is thieno[3,2-g][1,3]benzothiazole.

Molecular Properties

Compound Namethieno[3,2-g][1,3]benzothiazole
PubChem CID45077418
Molecular FormulaC9H5NS2
Molecular Weight191.28 g/mol
Exact Mass190.99
IUPAC Namethieno[3,2-g][1,3]benzothiazole
SMILESc1cc2ccc3ncsc3c2s1
InChIInChI=1S/C9H5NS2/c1-2-7-9(12-5-10-7)8-6(1)3-4-11-8/h1-5H
InChIKeyOMLSVERONWZGEC-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-g][1,3]benzothiazole?
The IUPAC name of thieno[3,2-g][1,3]benzothiazole (CID 45077418) is thieno[3,2-g][1,3]benzothiazole.
What is the SMILES notation for thieno[3,2-g][1,3]benzothiazole?
The canonical SMILES for thieno[3,2-g][1,3]benzothiazole is c1cc2ccc3ncsc3c2s1.
What is the InChIKey of thieno[3,2-g][1,3]benzothiazole?
The InChIKey is OMLSVERONWZGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NS2/c1-2-7-9(12-5-10-7)8-6(1)3-4-11-8/h1-5H.
What are the key properties of thieno[3,2-g][1,3]benzothiazole?
thieno[3,2-g][1,3]benzothiazole has a molecular weight of 191.28 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-g][1,3]benzothiazole is sourced from PubChem (CID 45077418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).