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

C17H15N3OS — CID 827781

IUPACN'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide
SMILESCc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3OS/c1-12-7-9-13(10-8-12)15-11-22-17(18-15)20-19-16(21)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyRVXKFOYRNJKTKO-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.88
Rot. Bonds4

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

N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide (PubChem CID 827781) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide
PubChem CID827781
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide
SMILESCc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3OS/c1-12-7-9-13(10-8-12)15-11-22-17(18-15)20-19-16(21)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyRVXKFOYRNJKTKO-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.88
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-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide?
The IUPAC name of N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide (CID 827781) is N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide.
What is the SMILES notation for N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide?
The canonical SMILES for N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide is Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide?
The InChIKey is RVXKFOYRNJKTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-7-9-13(10-8-12)15-11-22-17(18-15)20-19-16(21)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide?
N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide has a molecular weight of 309.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide is sourced from PubChem (CID 827781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).