N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide

C16H11BrFN3OS — CID 25097773

IUPACN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide
SMILESO=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(F)cc1
InChIInChI=1S/C16H11BrFN3OS/c17-12-5-1-10(2-6-12)14-9-23-16(19-14)21-20-15(22)11-3-7-13(18)8-4-11/h1-9H,(H,19,21)(H,20,22)
InChIKeyWSDLUDYMXRVRLG-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.47
Rot. Bonds4

About N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide

N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide (PubChem CID 25097773) has the molecular formula C16H11BrFN3OS and a molecular weight of 392.25 g/mol. Its IUPAC name is N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide
PubChem CID25097773
Molecular FormulaC16H11BrFN3OS
Molecular Weight392.25 g/mol
Exact Mass390.98
IUPAC NameN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide
SMILESO=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(F)cc1
InChIInChI=1S/C16H11BrFN3OS/c17-12-5-1-10(2-6-12)14-9-23-16(19-14)21-20-15(22)11-3-7-13(18)8-4-11/h1-9H,(H,19,21)(H,20,22)
InChIKeyWSDLUDYMXRVRLG-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.47
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-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide (CID 25097773) is N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide is O=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(F)cc1.
What is the InChIKey of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide?
The InChIKey is WSDLUDYMXRVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3OS/c17-12-5-1-10(2-6-12)14-9-23-16(19-14)21-20-15(22)11-3-7-13(18)8-4-11/h1-9H,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide?
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide has a molecular weight of 392.25 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 25097773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).