2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide

C10H7F2N3OS — CID 2744035

IUPAC2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C10H7F2N3OS/c11-5-1-2-6(7(12)3-5)10-14-8(4-17-10)9(16)15-13/h1-4H,13H2,(H,15,16)
InChIKeyIPTAZOUYWHFMSI-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.69
Rot. Bonds2

About 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide

2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 2744035) has the molecular formula C10H7F2N3OS and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID2744035
Molecular FormulaC10H7F2N3OS
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C10H7F2N3OS/c11-5-1-2-6(7(12)3-5)10-14-8(4-17-10)9(16)15-13/h1-4H,13H2,(H,15,16)
InChIKeyIPTAZOUYWHFMSI-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.69
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-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide (CID 2744035) is 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is IPTAZOUYWHFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3OS/c11-5-1-2-6(7(12)3-5)10-14-8(4-17-10)9(16)15-13/h1-4H,13H2,(H,15,16).
What are the key properties of 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide?
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 255.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2744035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).