N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide

C20H18FN3O4S — CID 9323740

IUPACN'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
SMILESCc1nc(COc2ccc(C(=O)NNC(=O)COc3ccccc3F)cc2)cs1
InChIInChI=1S/C20H18FN3O4S/c1-13-22-15(12-29-13)10-27-16-8-6-14(7-9-16)20(26)24-23-19(25)11-28-18-5-3-2-4-17(18)21/h2-9,12H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyBODZXEWBMFYVNW-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.01
Rot. Bonds7

About N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide (PubChem CID 9323740) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
PubChem CID9323740
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
SMILESCc1nc(COc2ccc(C(=O)NNC(=O)COc3ccccc3F)cc2)cs1
InChIInChI=1S/C20H18FN3O4S/c1-13-22-15(12-29-13)10-27-16-8-6-14(7-9-16)20(26)24-23-19(25)11-28-18-5-3-2-4-17(18)21/h2-9,12H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyBODZXEWBMFYVNW-UHFFFAOYSA-N
XLogP3.01
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide (CID 9323740) is N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide is Cc1nc(COc2ccc(C(=O)NNC(=O)COc3ccccc3F)cc2)cs1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide?
The InChIKey is BODZXEWBMFYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-13-22-15(12-29-13)10-27-16-8-6-14(7-9-16)20(26)24-23-19(25)11-28-18-5-3-2-4-17(18)21/h2-9,12H,10-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide has a molecular weight of 415.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide is sourced from PubChem (CID 9323740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).