N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide

C23H19ClN4O3S — CID 16580026

IUPACN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide
SMILESO=C(CNc1nc2ccccc2s1)NNC(=O)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O3S/c24-16-11-9-15(10-12-16)14-31-19-7-3-1-5-17(19)22(30)28-27-21(29)13-25-23-26-18-6-2-4-8-20(18)32-23/h1-12H,13-14H2,(H,25,26)(H,27,29)(H,28,30)
InChIKeyFBNYAWLMCULFDU-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.40
Rot. Bonds7

About N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide

N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide (PubChem CID 16580026) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide
PubChem CID16580026
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide
SMILESO=C(CNc1nc2ccccc2s1)NNC(=O)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O3S/c24-16-11-9-15(10-12-16)14-31-19-7-3-1-5-17(19)22(30)28-27-21(29)13-25-23-26-18-6-2-4-8-20(18)32-23/h1-12H,13-14H2,(H,25,26)(H,27,29)(H,28,30)
InChIKeyFBNYAWLMCULFDU-UHFFFAOYSA-N
XLogP4.40
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2120385
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide
CID 16580030
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3-methoxy-4-methylbenzohydrazide
CID 18280901
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide
CID 24684526
2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30882374
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-[(4-chlorophenyl)methoxy]-N-(2-methylbutan-2-yl)benzamide
CID 2115327
N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7976394
N-(1,3-benzothiazol-2-yl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 2789342
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide?
The IUPAC name of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide (CID 16580026) is N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide?
The canonical SMILES for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide is O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide?
The InChIKey is FBNYAWLMCULFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c24-16-11-9-15(10-12-16)14-31-19-7-3-1-5-17(19)22(30)28-27-21(29)13-25-23-26-18-6-2-4-8-20(18)32-23/h1-12H,13-14H2,(H,25,26)(H,27,29)(H,28,30).
What are the key properties of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide?
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide has a molecular weight of 466.95 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide is sourced from PubChem (CID 16580026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).