N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide

C14H9ClFN3OS — CID 7105592

IUPACN'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide
SMILESO=C(NNc1nc2c(Cl)cccc2s1)c1ccccc1F
InChIInChI=1S/C14H9ClFN3OS/c15-9-5-3-7-11-12(9)17-14(21-11)19-18-13(20)8-4-1-2-6-10(8)16/h1-7H,(H,17,19)(H,18,20)
InChIKeyQEUOUWAJMDVHLO-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.85
Rot. Bonds3

About N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide

N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide (PubChem CID 7105592) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide
PubChem CID7105592
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC NameN'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide
SMILESO=C(NNc1nc2c(Cl)cccc2s1)c1ccccc1F
InChIInChI=1S/C14H9ClFN3OS/c15-9-5-3-7-11-12(9)17-14(21-11)19-18-13(20)8-4-1-2-6-10(8)16/h1-7H,(H,17,19)(H,18,20)
InChIKeyQEUOUWAJMDVHLO-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.85
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-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide?
The IUPAC name of N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide (CID 7105592) is N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide?
The canonical SMILES for N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide is O=C(NNc1nc2c(Cl)cccc2s1)c1ccccc1F.
What is the InChIKey of N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide?
The InChIKey is QEUOUWAJMDVHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-9-5-3-7-11-12(9)17-14(21-11)19-18-13(20)8-4-1-2-6-10(8)16/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide?
N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide has a molecular weight of 321.76 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide is sourced from PubChem (CID 7105592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).