[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine

C13H17N5S — CID 63152947

IUPAC[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1CN1CCCc2ccccc2C1
InChIInChI=1S/C13H17N5S/c14-15-13-12(16-17-19-13)9-18-7-3-6-10-4-1-2-5-11(10)8-18/h1-2,4-5,15H,3,6-9,14H2
InChIKeyTYTBOSVFPSUPDS-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.77
Rot. Bonds3

About [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine

[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine (PubChem CID 63152947) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine
PubChem CID63152947
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1CN1CCCc2ccccc2C1
InChIInChI=1S/C13H17N5S/c14-15-13-12(16-17-19-13)9-18-7-3-6-10-4-1-2-5-11(10)8-18/h1-2,4-5,15H,3,6-9,14H2
InChIKeyTYTBOSVFPSUPDS-UHFFFAOYSA-N
XLogP1.77
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine (CID 63152947) is [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine is NNc1snnc1CN1CCCc2ccccc2C1.
What is the InChIKey of [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is TYTBOSVFPSUPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c14-15-13-12(16-17-19-13)9-18-7-3-6-10-4-1-2-5-11(10)8-18/h1-2,4-5,15H,3,6-9,14H2.
What are the key properties of [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine?
[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 275.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 63152947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).