2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one

C10H6N2OS2 — CID 2327942

IUPAC2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1nccs1
InChIInChI=1S/C10H6N2OS2/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
InChIKeyVNXHYDLIKDKGJP-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.51
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one

2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one (PubChem CID 2327942) has the molecular formula C10H6N2OS2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one
PubChem CID2327942
Molecular FormulaC10H6N2OS2
Molecular Weight234.31 g/mol
Exact Mass233.99
IUPAC Name2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1nccs1
InChIInChI=1S/C10H6N2OS2/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
InChIKeyVNXHYDLIKDKGJP-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one (CID 2327942) is 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1-c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one?
The InChIKey is VNXHYDLIKDKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS2/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H.
What are the key properties of 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one?
2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one has a molecular weight of 234.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 2327942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).