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

C11H8N4OS — CID 19256146

IUPAC(5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1nc2s/c(=C\c3cccnc3)c(=O)n2n1
InChIInChI=1S/C11H8N4OS/c1-7-13-11-15(14-7)10(16)9(17-11)5-8-3-2-4-12-6-8/h2-6H,1H3/b9-5-
InChIKeyGJBCVMVSCYBSCV-UITAMQMPSA-N
MW244.28 g/mol
LogP0.40
Rot. Bonds1

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

(5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 19256146) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID19256146
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name(5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1nc2s/c(=C\c3cccnc3)c(=O)n2n1
InChIInChI=1S/C11H8N4OS/c1-7-13-11-15(14-7)10(16)9(17-11)5-8-3-2-4-12-6-8/h2-6H,1H3/b9-5-
InChIKeyGJBCVMVSCYBSCV-UITAMQMPSA-N
XLogP0.40
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3486023
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852868
(5Z)-2-methyl-5-[(3-phenylmethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256152
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527417
5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
CID 2817083
(5Z)-5-benzylidene-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699996
5-[(4-phenylmethoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2908509
(5Z)-2-(4-methylphenyl)-5-[(3-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852897
2-[(4-iodophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 5144174
(5Z)-2-phenyl-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6126652
(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 750757
(5Z)-5-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527435

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 19256146) is (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1nc2s/c(=C\c3cccnc3)c(=O)n2n1.
What is the InChIKey of (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is GJBCVMVSCYBSCV-UITAMQMPSA-N. The full InChI is InChI=1S/C11H8N4OS/c1-7-13-11-15(14-7)10(16)9(17-11)5-8-3-2-4-12-6-8/h2-6H,1H3/b9-5-.
What are the key properties of (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 244.28 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 19256146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).