2-phenyl-1,3-thiazole-4-carbohydrazide

C10H9N3OS — CID 2740635

IUPAC2-phenyl-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C10H9N3OS/c11-13-9(14)8-6-15-10(12-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,13,14)
InChIKeyUOOVLEVHLHNGPC-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.41
Rot. Bonds2

About 2-phenyl-1,3-thiazole-4-carbohydrazide

2-phenyl-1,3-thiazole-4-carbohydrazide (PubChem CID 2740635) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-phenyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-phenyl-1,3-thiazole-4-carbohydrazide
PubChem CID2740635
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-phenyl-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C10H9N3OS/c11-13-9(14)8-6-15-10(12-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,13,14)
InChIKeyUOOVLEVHLHNGPC-UHFFFAOYSA-N
XLogP1.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-phenyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-phenyl-1,3-thiazole-4-carbohydrazide (CID 2740635) is 2-phenyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-phenyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-phenyl-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is UOOVLEVHLHNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-13-9(14)8-6-15-10(12-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,13,14).
What are the key properties of 2-phenyl-1,3-thiazole-4-carbohydrazide?
2-phenyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 219.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2740635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).