5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C19H17N3O3S — CID 4280958

IUPAC5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCC(C)COc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1
InChIInChI=1S/C19H17N3O3S/c1-12(2)11-25-14-7-5-13(6-8-14)17-20-19-22(21-17)18(23)16(26-19)10-15-4-3-9-24-15/h3-10,12H,11H2,1-2H3
InChIKeyOTGPHTAHIXIUSG-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.99
Rot. Bonds5

About 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 4280958) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID4280958
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCC(C)COc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1
InChIInChI=1S/C19H17N3O3S/c1-12(2)11-25-14-7-5-13(6-8-14)17-20-19-22(21-17)18(23)16(26-19)10-15-4-3-9-24-15/h3-10,12H,11H2,1-2H3
InChIKeyOTGPHTAHIXIUSG-UHFFFAOYSA-N
XLogP2.99
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 4280958) is 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CC(C)COc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is OTGPHTAHIXIUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12(2)11-25-14-7-5-13(6-8-14)17-20-19-22(21-17)18(23)16(26-19)10-15-4-3-9-24-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 367.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 4280958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).