N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide

C16H13N3OS — CID 1482007

IUPACN'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)18-19-16-17-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H,17,19)(H,18,20)
InChIKeyBAAXTWGIWRHQSD-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.57
Rot. Bonds4

About N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide

N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide (PubChem CID 1482007) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
PubChem CID1482007
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)18-19-16-17-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H,17,19)(H,18,20)
InChIKeyBAAXTWGIWRHQSD-UHFFFAOYSA-N
XLogP3.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.57
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-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The IUPAC name of N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide (CID 1482007) is N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide.
What is the SMILES notation for N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The canonical SMILES for N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide is O=C(NNc1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The InChIKey is BAAXTWGIWRHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)18-19-16-17-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H,17,19)(H,18,20).
What are the key properties of N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide has a molecular weight of 295.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide is sourced from PubChem (CID 1482007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).