5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole

C13H9N3OS2 — CID 166805678

IUPAC5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCn1cccc1-c1nc2sc(-c3ccco3)nc2s1
InChIInChI=1S/C13H9N3OS2/c1-16-6-2-4-8(16)10-14-12-13(18-10)15-11(19-12)9-5-3-7-17-9/h2-7H,1H3
InChIKeyRZMJQTPFAAIYOD-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.02
Rot. Bonds2

About 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole

5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 166805678) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID166805678
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCn1cccc1-c1nc2sc(-c3ccco3)nc2s1
InChIInChI=1S/C13H9N3OS2/c1-16-6-2-4-8(16)10-14-12-13(18-10)15-11(19-12)9-5-3-7-17-9/h2-7H,1H3
InChIKeyRZMJQTPFAAIYOD-UHFFFAOYSA-N
XLogP4.02
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 166805678) is 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole is Cn1cccc1-c1nc2sc(-c3ccco3)nc2s1.
What is the InChIKey of 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is RZMJQTPFAAIYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c1-16-6-2-4-8(16)10-14-12-13(18-10)15-11(19-12)9-5-3-7-17-9/h2-7H,1H3.
What are the key properties of 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 287.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 166805678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).