2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol

C10H7Cl2N3OS — CID 71600038

IUPAC2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
SMILESOc1csc(N/N=C/c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-5,16H,(H,14,15)/b13-4+
InChIKeyNWHFOQTUAXRMMX-YIXHJXPBSA-N
MW288.16 g/mol
LogP3.60
Rot. Bonds3

About 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol

2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol (PubChem CID 71600038) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
PubChem CID71600038
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC Name2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
SMILESOc1csc(N/N=C/c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-5,16H,(H,14,15)/b13-4+
InChIKeyNWHFOQTUAXRMMX-YIXHJXPBSA-N
XLogP3.60
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol (CID 71600038) is 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol is Oc1csc(N/N=C/c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol?
The InChIKey is NWHFOQTUAXRMMX-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-5,16H,(H,14,15)/b13-4+.
What are the key properties of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol?
2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol has a molecular weight of 288.16 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 71600038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).