2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide

C10H9FN4OS — CID 2783009

IUPAC2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(N)sc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4OS/c11-6-3-1-5(2-4-6)8-7(9(16)15-13)14-10(12)17-8/h1-4H,13H2,(H2,12,14)(H,15,16)
InChIKeyVDYZWYKSVYFAQU-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide

2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 2783009) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID2783009
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(N)sc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4OS/c11-6-3-1-5(2-4-6)8-7(9(16)15-13)14-10(12)17-8/h1-4H,13H2,(H2,12,14)(H,15,16)
InChIKeyVDYZWYKSVYFAQU-UHFFFAOYSA-N
XLogP1.13
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide (CID 2783009) is 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide is NNC(=O)c1nc(N)sc1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is VDYZWYKSVYFAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c11-6-3-1-5(2-4-6)8-7(9(16)15-13)14-10(12)17-8/h1-4H,13H2,(H2,12,14)(H,15,16).
What are the key properties of 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide?
2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 252.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2783009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).