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

C19H17N3O3S — CID 3845227

IUPAC5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(C=c2sc3nc(-c4ccc(OC(C)C)cc4)nn3c2=O)o1
InChIInChI=1S/C19H17N3O3S/c1-11(2)24-14-8-5-13(6-9-14)17-20-19-22(21-17)18(23)16(26-19)10-15-7-4-12(3)25-15/h4-11H,1-3H3
InChIKeyCFEGVQLMYSFILR-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.05
Rot. Bonds4

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

5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3845227) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID3845227
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(C=c2sc3nc(-c4ccc(OC(C)C)cc4)nn3c2=O)o1
InChIInChI=1S/C19H17N3O3S/c1-11(2)24-14-8-5-13(6-9-14)17-20-19-22(21-17)18(23)16(26-19)10-15-7-4-12(3)25-15/h4-11H,1-3H3
InChIKeyCFEGVQLMYSFILR-UHFFFAOYSA-N
XLogP3.05
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(furan-2-ylmethylidene)-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1283841
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
5-[(4-chlorophenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2911081
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
[3-[(E)-[6-oxo-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
CID 2139152
2-(2-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5094325
5-(furan-2-ylmethylidene)-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4280958
(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
2-(4-methoxyphenyl)-5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3604510
(5Z)-2-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 7454576
acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 45125892

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 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) is 5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[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-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccc(C=c2sc3nc(-c4ccc(OC(C)C)cc4)nn3c2=O)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is CFEGVQLMYSFILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11(2)24-14-8-5-13(6-9-14)17-20-19-22(21-17)18(23)16(26-19)10-15-7-4-12(3)25-15/h4-11H,1-3H3.
What are the key properties of 5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 367.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3845227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).