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

C10H8FN3OS — CID 67449843

IUPAC2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H8FN3OS/c11-7-3-1-6(2-4-7)10-13-8(5-16-10)9(15)14-12/h1-5H,12H2,(H,14,15)
InChIKeyNEFMNUHAXQQNIB-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.55
Rot. Bonds2

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

2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 67449843) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID67449843
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H8FN3OS/c11-7-3-1-6(2-4-7)10-13-8(5-16-10)9(15)14-12/h1-5H,12H2,(H,14,15)
InChIKeyNEFMNUHAXQQNIB-UHFFFAOYSA-N
XLogP1.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.55
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-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide (CID 67449843) is 2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is NEFMNUHAXQQNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-7-3-1-6(2-4-7)10-13-8(5-16-10)9(15)14-12/h1-5H,12H2,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide?
2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 237.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 67449843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).