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

C25H14F3N3O3S — CID 6124479

IUPAC(5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1c(-c2nc3s/c(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)c(=O)n3n2)oc2ccccc12
InChIInChI=1S/C25H14F3N3O3S/c1-13-17-7-2-3-8-19(17)34-21(13)22-29-24-31(30-22)23(32)20(35-24)12-16-9-10-18(33-16)14-5-4-6-15(11-14)25(26,27)28/h2-12H,1H3/b20-12-
InChIKeyGZFIKNWZKBJYAQ-NDENLUEZSA-N
MW493.47 g/mol
LogP5.70
Rot. Bonds3

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

(5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 6124479) has the molecular formula C25H14F3N3O3S and a molecular weight of 493.47 g/mol. Its IUPAC name is (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID6124479
Molecular FormulaC25H14F3N3O3S
Molecular Weight493.47 g/mol
Exact Mass493.07
IUPAC Name(5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1c(-c2nc3s/c(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)c(=O)n3n2)oc2ccccc12
InChIInChI=1S/C25H14F3N3O3S/c1-13-17-7-2-3-8-19(17)34-21(13)22-29-24-31(30-22)23(32)20(35-24)12-16-9-10-18(33-16)14-5-4-6-15(11-14)25(26,27)28/h2-12H,1H3/b20-12-
InChIKeyGZFIKNWZKBJYAQ-NDENLUEZSA-N
XLogP5.70
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

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Related Compounds

(5Z)-2-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 7454576
(5Z)-2-(4-tert-butylphenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124973
(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-2-(4-tert-butylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 32885018
(4Z)-10-bromo-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
CID 1285453
(5Z)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124554
4-[5-[(Z)-(6-oxo-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 6196521
(5Z)-2-(4-bromophenyl)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527387
(5Z)-2-(4-tert-butylphenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124556
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5226237
2-(3-methyl-1-benzofuran-2-yl)-5-[(4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3687768
(5Z)-2-(4-bromophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527397
(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 6531469

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 6124479) is (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1c(-c2nc3s/c(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)c(=O)n3n2)oc2ccccc12.
What is the InChIKey of (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is GZFIKNWZKBJYAQ-NDENLUEZSA-N. The full InChI is InChI=1S/C25H14F3N3O3S/c1-13-17-7-2-3-8-19(17)34-21(13)22-29-24-31(30-22)23(32)20(35-24)12-16-9-10-18(33-16)14-5-4-6-15(11-14)25(26,27)28/h2-12H,1H3/b20-12-.
What are the key properties of (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 493.47 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 6124479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).