[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine

C9H7Cl2N3S — CID 116892139

IUPAC[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine
SMILESNNc1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C9H7Cl2N3S/c10-5-1-2-6(7(11)3-5)9-13-8(14-12)4-15-9/h1-4,14H,12H2
InChIKeyIKGKBQRLVIXYDE-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.40
Rot. Bonds2

About [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine

[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine (PubChem CID 116892139) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine
PubChem CID116892139
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC Name[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine
SMILESNNc1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C9H7Cl2N3S/c10-5-1-2-6(7(11)3-5)9-13-8(14-12)4-15-9/h1-4,14H,12H2
InChIKeyIKGKBQRLVIXYDE-UHFFFAOYSA-N
XLogP3.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine?
The IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine (CID 116892139) is [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine?
The canonical SMILES for [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine is NNc1csc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine?
The InChIKey is IKGKBQRLVIXYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c10-5-1-2-6(7(11)3-5)9-13-8(14-12)4-15-9/h1-4,14H,12H2.
What are the key properties of [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine?
[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine has a molecular weight of 260.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine is sourced from PubChem (CID 116892139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).