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

C18H15N3O3S — CID 1283841

IUPAC5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCC(C)Oc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1
InChIInChI=1S/C18H15N3O3S/c1-11(2)24-13-7-5-12(6-8-13)16-19-18-21(20-16)17(22)15(25-18)10-14-4-3-9-23-14/h3-11H,1-2H3
InChIKeyUIXOQBWVAFUJKS-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.75
Rot. Bonds4

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

5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 1283841) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID1283841
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCC(C)Oc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1
InChIInChI=1S/C18H15N3O3S/c1-11(2)24-13-7-5-12(6-8-13)16-19-18-21(20-16)17(22)15(25-18)10-14-4-3-9-23-14/h3-11H,1-2H3
InChIKeyUIXOQBWVAFUJKS-UHFFFAOYSA-N
XLogP2.75
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.75
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-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 1283841) is 5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CC(C)Oc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is UIXOQBWVAFUJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11(2)24-13-7-5-12(6-8-13)16-19-18-21(20-16)17(22)15(25-18)10-14-4-3-9-23-14/h3-11H,1-2H3.
What are the key properties of 5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 353.40 g/mol, XLogP of 2.75, 4 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-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 1283841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).