[1,3]thiazolo[5,4-f][1,3]benzothiazole

C8H4N2S2 — CID 17325439

IUPAC[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESc1nc2cc3scnc3cc2s1
InChIInChI=1S/C8H4N2S2/c1-5-8(12-3-9-5)2-6-7(1)11-4-10-6/h1-4H
InChIKeyJWLNXHODHNBWPR-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.91
Rot. Bonds

About [1,3]thiazolo[5,4-f][1,3]benzothiazole

[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 17325439) has the molecular formula C8H4N2S2 and a molecular weight of 192.27 g/mol. Its IUPAC name is [1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID17325439
Molecular FormulaC8H4N2S2
Molecular Weight192.27 g/mol
Exact Mass191.98
IUPAC Name[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESc1nc2cc3scnc3cc2s1
InChIInChI=1S/C8H4N2S2/c1-5-8(12-3-9-5)2-6-7(1)11-4-10-6/h1-4H
InChIKeyJWLNXHODHNBWPR-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of [1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 17325439) is [1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for [1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for [1,3]thiazolo[5,4-f][1,3]benzothiazole is c1nc2cc3scnc3cc2s1.
What is the InChIKey of [1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is JWLNXHODHNBWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2S2/c1-5-8(12-3-9-5)2-6-7(1)11-4-10-6/h1-4H.
What are the key properties of [1,3]thiazolo[5,4-f][1,3]benzothiazole?
[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 192.27 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 17325439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).