2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H17N5O2S — CID 168574815

IUPAC2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCc1nnc(-c2ccc(C=NN=C3NC(=O)CS3)cc2)o1
InChIInChI=1S/C16H17N5O2S/c1-2-3-4-14-19-20-15(23-14)12-7-5-11(6-8-12)9-17-21-16-18-13(22)10-24-16/h5-9H,2-4,10H2,1H3,(H,18,21,22)
InChIKeyLCXPXXQXPYYDOL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.63
Rot. Bonds6

About 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574815) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574815
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCc1nnc(-c2ccc(C=NN=C3NC(=O)CS3)cc2)o1
InChIInChI=1S/C16H17N5O2S/c1-2-3-4-14-19-20-15(23-14)12-7-5-11(6-8-12)9-17-21-16-18-13(22)10-24-16/h5-9H,2-4,10H2,1H3,(H,18,21,22)
InChIKeyLCXPXXQXPYYDOL-UHFFFAOYSA-N
XLogP2.63
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574815) is 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCc1nnc(-c2ccc(C=NN=C3NC(=O)CS3)cc2)o1.
What is the InChIKey of 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LCXPXXQXPYYDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-2-3-4-14-19-20-15(23-14)12-7-5-11(6-8-12)9-17-21-16-18-13(22)10-24-16/h5-9H,2-4,10H2,1H3,(H,18,21,22).
What are the key properties of 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 343.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).