(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride

C12H14ClN3S — CID 69206071

IUPAC(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
SMILESC=CCn1c(-c2ccccc2)csc1=NN.Cl
InChIInChI=1S/C12H13N3S.ClH/c1-2-8-15-11(9-16-12(15)14-13)10-6-4-3-5-7-10;/h2-7,9H,1,8,13H2;1H
InChIKeyNQBLDACGJQHLBN-UHFFFAOYSA-N
MW267.79 g/mol
LogP2.60
Rot. Bonds3

About (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride

(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride (PubChem CID 69206071) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride.

Molecular Properties

Compound Name(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
PubChem CID69206071
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
SMILESC=CCn1c(-c2ccccc2)csc1=NN.Cl
InChIInChI=1S/C12H13N3S.ClH/c1-2-8-15-11(9-16-12(15)14-13)10-6-4-3-5-7-10;/h2-7,9H,1,8,13H2;1H
InChIKeyNQBLDACGJQHLBN-UHFFFAOYSA-N
XLogP2.60
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride 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-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride?
The IUPAC name of (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride (CID 69206071) is (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride.
What is the SMILES notation for (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride?
The canonical SMILES for (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride is C=CCn1c(-c2ccccc2)csc1=NN.Cl.
What is the InChIKey of (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride?
The InChIKey is NQBLDACGJQHLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.ClH/c1-2-8-15-11(9-16-12(15)14-13)10-6-4-3-5-7-10;/h2-7,9H,1,8,13H2;1H.
What are the key properties of (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride?
(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride has a molecular weight of 267.79 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride is sourced from PubChem (CID 69206071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).