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

C16H10BrN3O2S — CID 3437626

IUPAC3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccc(C=c2sc3nnc(-c4ccc(Br)cc4)n3c2=O)o1
InChIInChI=1S/C16H10BrN3O2S/c1-9-2-7-12(22-9)8-13-15(21)20-14(18-19-16(20)23-13)10-3-5-11(17)6-4-10/h2-8H,1H3
InChIKeyDVIHRXLOCYWNSU-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.03
Rot. Bonds2

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

3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 3437626) has the molecular formula C16H10BrN3O2S and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID3437626
Molecular FormulaC16H10BrN3O2S
Molecular Weight388.25 g/mol
Exact Mass386.97
IUPAC Name3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccc(C=c2sc3nnc(-c4ccc(Br)cc4)n3c2=O)o1
InChIInChI=1S/C16H10BrN3O2S/c1-9-2-7-12(22-9)8-13-15(21)20-14(18-19-16(20)23-13)10-3-5-11(17)6-4-10/h2-8H,1H3
InChIKeyDVIHRXLOCYWNSU-UHFFFAOYSA-N
XLogP3.03
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-bromophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3247639
3-(4-chlorophenyl)-6-(furan-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3653379
(6E)-3-(4-chlorophenyl)-6-[(4-methylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2007006
(6E)-6-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2236350
2-(4-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3429749
(7Z)-7-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
CID 11341987
(6E)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6371569
(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
6-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1239190
3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3590320
(6E)-3-phenyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2033029
(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6010358

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 3437626) is 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is Cc1ccc(C=c2sc3nnc(-c4ccc(Br)cc4)n3c2=O)o1.
What is the InChIKey of 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is DVIHRXLOCYWNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2S/c1-9-2-7-12(22-9)8-13-15(21)20-14(18-19-16(20)23-13)10-3-5-11(17)6-4-10/h2-8H,1H3.
What are the key properties of 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 388.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 3437626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).