2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C13H19N3OS — CID 135518636

IUPAC2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC12CCC(CC1=NN=C1NC(=O)CS1)C2(C)C
InChIInChI=1S/C13H19N3OS/c1-12(2)8-4-5-13(12,3)9(6-8)15-16-11-14-10(17)7-18-11/h8H,4-7H2,1-3H3,(H,14,16,17)
InChIKeySIEAACZXISTASO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.41
Rot. Bonds1

About 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one

2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135518636) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135518636
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC12CCC(CC1=NN=C1NC(=O)CS1)C2(C)C
InChIInChI=1S/C13H19N3OS/c1-12(2)8-4-5-13(12,3)9(6-8)15-16-11-14-10(17)7-18-11/h8H,4-7H2,1-3H3,(H,14,16,17)
InChIKeySIEAACZXISTASO-UHFFFAOYSA-N
XLogP2.41
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135518636) is 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC12CCC(CC1=NN=C1NC(=O)CS1)C2(C)C.
What is the InChIKey of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SIEAACZXISTASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-12(2)8-4-5-13(12,3)9(6-8)15-16-11-14-10(17)7-18-11/h8H,4-7H2,1-3H3,(H,14,16,17).
What are the key properties of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135518636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).