5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C19H17N3O5S — CID 5150150

IUPAC5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1cc(-c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O5S/c1-10-5-6-12(27-10)9-15-18(23)22-19(28-15)20-17(21-22)11-7-13(24-2)16(26-4)14(8-11)25-3/h5-9H,1-4H3
InChIKeyGAHFZXBVEKBLMZ-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.29
Rot. Bonds5

About 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 5150150) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID5150150
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1cc(-c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O5S/c1-10-5-6-12(27-10)9-15-18(23)22-19(28-15)20-17(21-22)11-7-13(24-2)16(26-4)14(8-11)25-3/h5-9H,1-4H3
InChIKeyGAHFZXBVEKBLMZ-UHFFFAOYSA-N
XLogP2.29
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5094325
acetic acid;(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 45125882
(5Z)-5-[(3-methylphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852948
2-(4-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3429749
(5Z)-2-(4-tert-butylphenyl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6003604
(5Z)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6047432
5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3845227
acetic acid;5-(thiophen-2-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 75095189
2-(4-tert-butylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4615758
2-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1192084
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124880
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3698895

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 5150150) is 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1cc(-c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)cc(OC)c1OC.
What is the InChIKey of 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is GAHFZXBVEKBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-10-5-6-12(27-10)9-15-18(23)22-19(28-15)20-17(21-22)11-7-13(24-2)16(26-4)14(8-11)25-3/h5-9H,1-4H3.
What are the key properties of 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 399.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 5150150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).