N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide

C16H12FN3OS — CID 1482008

IUPACN'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide
SMILESO=C(NNc1nc(-c2ccc(F)cc2)cs1)c1ccccc1
InChIInChI=1S/C16H12FN3OS/c17-13-8-6-11(7-9-13)14-10-22-16(18-14)20-19-15(21)12-4-2-1-3-5-12/h1-10H,(H,18,20)(H,19,21)
InChIKeyHXIHZEQKVTVRKS-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.71
Rot. Bonds4

About N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide

N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide (PubChem CID 1482008) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide
PubChem CID1482008
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC NameN'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide
SMILESO=C(NNc1nc(-c2ccc(F)cc2)cs1)c1ccccc1
InChIInChI=1S/C16H12FN3OS/c17-13-8-6-11(7-9-13)14-10-22-16(18-14)20-19-15(21)12-4-2-1-3-5-12/h1-10H,(H,18,20)(H,19,21)
InChIKeyHXIHZEQKVTVRKS-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The IUPAC name of N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide (CID 1482008) is N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide.
What is the SMILES notation for N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The canonical SMILES for N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide is O=C(NNc1nc(-c2ccc(F)cc2)cs1)c1ccccc1.
What is the InChIKey of N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The InChIKey is HXIHZEQKVTVRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-13-8-6-11(7-9-13)14-10-22-16(18-14)20-19-15(21)12-4-2-1-3-5-12/h1-10H,(H,18,20)(H,19,21).
What are the key properties of N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide?
N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide has a molecular weight of 313.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide is sourced from PubChem (CID 1482008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).