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

C16H11N3O2S — CID 5392310

IUPAC(5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1
InChIInChI=1S/C16H11N3O2S/c1-10-4-6-11(7-5-10)14-17-16-19(18-14)15(20)13(22-16)9-12-3-2-8-21-12/h2-9H,1H3/b13-9-
InChIKeyQGJPSKVEPWIBTQ-LCYFTJDESA-N
MW309.35 g/mol
LogP2.27
Rot. Bonds2

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

(5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 5392310) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID5392310
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1
InChIInChI=1S/C16H11N3O2S/c1-10-4-6-11(7-5-10)14-17-16-19(18-14)15(20)13(22-16)9-12-3-2-8-21-12/h2-9H,1H3/b13-9-
InChIKeyQGJPSKVEPWIBTQ-LCYFTJDESA-N
XLogP2.27
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 5392310) is (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is QGJPSKVEPWIBTQ-LCYFTJDESA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-10-4-6-11(7-5-10)14-17-16-19(18-14)15(20)13(22-16)9-12-3-2-8-21-12/h2-9H,1H3/b13-9-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 309.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 5392310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).