(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one

C14H9NOS — CID 930835

IUPAC(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one
SMILESO=C1c2ccccc2[C@H]2Sc3ccccc3N12
InChIInChI=1S/C14H9NOS/c16-13-9-5-1-2-6-10(9)14-15(13)11-7-3-4-8-12(11)17-14/h1-8,14H/t14-/m1/s1
InChIKeyBXGCKZDXDVHXCX-CQSZACIVSA-N
MW239.30 g/mol
LogP3.45
Rot. Bonds

About (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one

(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one (PubChem CID 930835) has the molecular formula C14H9NOS and a molecular weight of 239.30 g/mol. Its IUPAC name is (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one.

Molecular Properties

Compound Name(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one
PubChem CID930835
Molecular FormulaC14H9NOS
Molecular Weight239.30 g/mol
Exact Mass239.04
IUPAC Name(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one
SMILESO=C1c2ccccc2[C@H]2Sc3ccccc3N12
InChIInChI=1S/C14H9NOS/c16-13-9-5-1-2-6-10(9)14-15(13)11-7-3-4-8-12(11)17-14/h1-8,14H/t14-/m1/s1
InChIKeyBXGCKZDXDVHXCX-CQSZACIVSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 3969321
8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one
CID 10662671
7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one
CID 11403484
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991
6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 3812393
2,3-bis(4-methylphenyl)-2H-1,3-benzothiazin-4-one
CID 155320758
2-naphthalen-1-yl-3-sulfanyl-2H-1,3-benzothiazole
CID 139620869
3-(4-bromophenyl)-2-phenyl-2H-1,3-benzothiazin-4-one
CID 155321597
(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 7353211
2-chloro-4-hydroxy-1,4-benzothiazin-3-one
CID 10059146
(5S,6aS)-5-phenyl-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one
CID 15535030
2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 141210941

Frequently Asked Questions

What is the IUPAC name of (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one?
The IUPAC name of (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one (CID 930835) is (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one.
What is the SMILES notation for (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one?
The canonical SMILES for (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one is O=C1c2ccccc2[C@H]2Sc3ccccc3N12.
What is the InChIKey of (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one?
The InChIKey is BXGCKZDXDVHXCX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H9NOS/c16-13-9-5-1-2-6-10(9)14-15(13)11-7-3-4-8-12(11)17-14/h1-8,14H/t14-/m1/s1.
What are the key properties of (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one?
(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one has a molecular weight of 239.30 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one is sourced from PubChem (CID 930835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).