5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C17H14N4O2S — CID 4521632

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCN(C)c1ccc(C=c2sc3nc(-c4ccco4)nn3c2=O)cc1
InChIInChI=1S/C17H14N4O2S/c1-20(2)12-7-5-11(6-8-12)10-14-16(22)21-17(24-14)18-15(19-21)13-4-3-9-23-13/h3-10H,1-2H3
InChIKeyPRTMZXIHNHIJOX-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.02
Rot. Bonds3

About 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 4521632) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID4521632
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCN(C)c1ccc(C=c2sc3nc(-c4ccco4)nn3c2=O)cc1
InChIInChI=1S/C17H14N4O2S/c1-20(2)12-7-5-11(6-8-12)10-14-16(22)21-17(24-14)18-15(19-21)13-4-3-9-23-13/h3-10H,1-2H3
InChIKeyPRTMZXIHNHIJOX-UHFFFAOYSA-N
XLogP2.02
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-fluorophenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143644
(5Z)-5-[(4-fluorophenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143643
5-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269018
(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6318421
(5Z)-2-(furan-2-yl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143467
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
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3444198
5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4704694
2-(furan-2-yl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269015
(2Z)-6-[(4-chlorophenyl)methyl]-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2143489
4-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 3102650
(5Z)-2-(4-fluorophenyl)-5-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 931377

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 4521632) is 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CN(C)c1ccc(C=c2sc3nc(-c4ccco4)nn3c2=O)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is PRTMZXIHNHIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-20(2)12-7-5-11(6-8-12)10-14-16(22)21-17(24-14)18-15(19-21)13-4-3-9-23-13/h3-10H,1-2H3.
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 338.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 4521632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).