N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide

C16H12FN3O3S — CID 7809035

IUPACN'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C16H12FN3O3S/c17-11-3-1-2-4-13(11)23-8-15(21)19-20-16(22)10-5-6-12-14(7-10)24-9-18-12/h1-7,9H,8H2,(H,19,21)(H,20,22)
InChIKeyGBMHYRSTBBTPBU-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.28
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide (PubChem CID 7809035) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide
PubChem CID7809035
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C16H12FN3O3S/c17-11-3-1-2-4-13(11)23-8-15(21)19-20-16(22)10-5-6-12-14(7-10)24-9-18-12/h1-7,9H,8H2,(H,19,21)(H,20,22)
InChIKeyGBMHYRSTBBTPBU-UHFFFAOYSA-N
XLogP2.28
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.28
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

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 4779917
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17412880
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
CID 9323740
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 71806878
N-[3-(2-methoxyphenyl)prop-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90549139
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide (CID 7809035) is N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide?
The InChIKey is GBMHYRSTBBTPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c17-11-3-1-2-4-13(11)23-8-15(21)19-20-16(22)10-5-6-12-14(7-10)24-9-18-12/h1-7,9H,8H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide has a molecular weight of 345.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide is sourced from PubChem (CID 7809035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).