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

C17H12N4OS — CID 827782

IUPACN'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
SMILESN#Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C17H12N4OS/c18-10-12-6-8-13(9-7-12)15-11-23-17(19-15)21-20-16(22)14-4-2-1-3-5-14/h1-9,11H,(H,19,21)(H,20,22)
InChIKeyMIFZEZUARUVDOS-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.44
Rot. Bonds4

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

N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide (PubChem CID 827782) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
PubChem CID827782
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
SMILESN#Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C17H12N4OS/c18-10-12-6-8-13(9-7-12)15-11-23-17(19-15)21-20-16(22)14-4-2-1-3-5-14/h1-9,11H,(H,19,21)(H,20,22)
InChIKeyMIFZEZUARUVDOS-UHFFFAOYSA-N
XLogP3.44
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The IUPAC name of N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide (CID 827782) is N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide.
What is the SMILES notation for N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The canonical SMILES for N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide is N#Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The InChIKey is MIFZEZUARUVDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c18-10-12-6-8-13(9-7-12)15-11-23-17(19-15)21-20-16(22)14-4-2-1-3-5-14/h1-9,11H,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide?
N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide has a molecular weight of 320.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide is sourced from PubChem (CID 827782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).