(4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine

C9H12N4S — CID 166924244

IUPAC(4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine
SMILESN/N=C1/CCSc2ccccc2N1N
InChIInChI=1S/C9H12N4S/c10-12-9-5-6-14-8-4-2-1-3-7(8)13(9)11/h1-4H,5-6,10-11H2/b12-9-
InChIKeyANNFORHRRJMNIM-XFXZXTDPSA-N
MW208.29 g/mol
LogP1.13
Rot. Bonds

About (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine

(4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine (PubChem CID 166924244) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine.

Molecular Properties

Compound Name(4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine
PubChem CID166924244
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name(4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine
SMILESN/N=C1/CCSc2ccccc2N1N
InChIInChI=1S/C9H12N4S/c10-12-9-5-6-14-8-4-2-1-3-7(8)13(9)11/h1-4H,5-6,10-11H2/b12-9-
InChIKeyANNFORHRRJMNIM-XFXZXTDPSA-N
XLogP1.13
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine 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 (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine?
The IUPAC name of (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine (CID 166924244) is (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine.
What is the SMILES notation for (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine?
The canonical SMILES for (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine is N/N=C1/CCSc2ccccc2N1N.
What is the InChIKey of (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine?
The InChIKey is ANNFORHRRJMNIM-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H12N4S/c10-12-9-5-6-14-8-4-2-1-3-7(8)13(9)11/h1-4H,5-6,10-11H2/b12-9-.
What are the key properties of (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine?
(4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine has a molecular weight of 208.29 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydrazinylidene-2,3-dihydro-1,5-benzothiazepin-5-amine is sourced from PubChem (CID 166924244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).