2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C14H10BrN3OS — CID 168575180

IUPAC2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc3cccc(Br)c3c2)N1
InChIInChI=1S/C14H10BrN3OS/c15-12-3-1-2-10-5-4-9(6-11(10)12)7-16-18-14-17-13(19)8-20-14/h1-7H,8H2,(H,17,18,19)
InChIKeyJYDNNWOQTNRVCU-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.16
Rot. Bonds2

About 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575180) has the molecular formula C14H10BrN3OS and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575180
Molecular FormulaC14H10BrN3OS
Molecular Weight348.23 g/mol
Exact Mass346.97
IUPAC Name2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc3cccc(Br)c3c2)N1
InChIInChI=1S/C14H10BrN3OS/c15-12-3-1-2-10-5-4-9(6-11(10)12)7-16-18-14-17-13(19)8-20-14/h1-7H,8H2,(H,17,18,19)
InChIKeyJYDNNWOQTNRVCU-UHFFFAOYSA-N
XLogP3.16
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574665
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393
2-[(3-bromo-4-pyrazol-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575912
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
2-[[3-[(2-bromo-5-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574089

Frequently Asked Questions

What is the IUPAC name of 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575180) is 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc3cccc(Br)c3c2)N1.
What is the InChIKey of 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is JYDNNWOQTNRVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3OS/c15-12-3-1-2-10-5-4-9(6-11(10)12)7-16-18-14-17-13(19)8-20-14/h1-7H,8H2,(H,17,18,19).
What are the key properties of 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 348.23 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).