(5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C9H5N3OS2 — CID 754577

IUPAC(5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccs2)sc2ncnn12
InChIInChI=1S/C9H5N3OS2/c13-8-7(4-6-2-1-3-14-6)15-9-10-5-11-12(8)9/h1-5H/b7-4-
InChIKeySNYOWFRXSCIZQR-DAXSKMNVSA-N
MW235.29 g/mol
LogP0.76
Rot. Bonds1

About (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 754577) has the molecular formula C9H5N3OS2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID754577
Molecular FormulaC9H5N3OS2
Molecular Weight235.29 g/mol
Exact Mass234.99
IUPAC Name(5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccs2)sc2ncnn12
InChIInChI=1S/C9H5N3OS2/c13-8-7(4-6-2-1-3-14-6)15-9-10-5-11-12(8)9/h1-5H/b7-4-
InChIKeySNYOWFRXSCIZQR-DAXSKMNVSA-N
XLogP0.76
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6126651
(5E)-5-[(4-bromophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 754563
(5Z)-2-(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2139191
(6Z)-3-methyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5420518
(5Z)-5-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6125358
(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6318421
(5Z)-5-[(2-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2189080
2-(4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 696170
6-benzyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1184343
(5E)-2-(4-ethoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2144155
(6E)-3-phenyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2033029
2-(4-butoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5159817

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 754577) is (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2cccs2)sc2ncnn12.
What is the InChIKey of (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is SNYOWFRXSCIZQR-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H5N3OS2/c13-8-7(4-6-2-1-3-14-6)15-9-10-5-11-12(8)9/h1-5H/b7-4-.
What are the key properties of (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 754577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).