3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide

C18H16FN3O3S — CID 9472025

IUPAC3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
SMILESO=C(CCc1nc2ccccc2s1)NNC(=O)COc1ccccc1F
InChIInChI=1S/C18H16FN3O3S/c19-12-5-1-3-7-14(12)25-11-17(24)22-21-16(23)9-10-18-20-13-6-2-4-8-15(13)26-18/h1-8H,9-11H2,(H,21,23)(H,22,24)
InChIKeyZXSOMJRQLYJVCH-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.59
Rot. Bonds6

About 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide

3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide (PubChem CID 9472025) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
PubChem CID9472025
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
SMILESO=C(CCc1nc2ccccc2s1)NNC(=O)COc1ccccc1F
InChIInChI=1S/C18H16FN3O3S/c19-12-5-1-3-7-14(12)25-11-17(24)22-21-16(23)9-10-18-20-13-6-2-4-8-15(13)26-18/h1-8H,9-11H2,(H,21,23)(H,22,24)
InChIKeyZXSOMJRQLYJVCH-UHFFFAOYSA-N
XLogP2.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.59
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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Related Compounds

3-(1,3-benzothiazol-2-yl)-N'-[2-(3,4-dimethylphenoxy)acetyl]propanehydrazide
CID 27569374
1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-propan-2-ylthiourea
CID 7978198
3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 8743818
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
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3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 17493962
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472811
5-(1,3-benzothiazol-2-yl)-N'-[2-(4-cyanophenoxy)acetyl]pentanehydrazide
CID 9323419
3-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpropanamide
CID 27741117
3-(1,3-benzothiazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770425
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
CID 27691817
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 51208011
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide (CID 9472025) is 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide is O=C(CCc1nc2ccccc2s1)NNC(=O)COc1ccccc1F.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide?
The InChIKey is ZXSOMJRQLYJVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-12-5-1-3-7-14(12)25-11-17(24)22-21-16(23)9-10-18-20-13-6-2-4-8-15(13)26-18/h1-8H,9-11H2,(H,21,23)(H,22,24).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide?
3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide has a molecular weight of 373.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 9472025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).