2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide

C25H23N3O5S — CID 24538886

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide
SMILESO=C(COCc1nc2ccccc2s1)NNC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O5S/c29-23(15-31-17-25-26-21-8-4-5-9-22(21)34-25)27-28-24(30)16-33-20-12-10-19(11-13-20)32-14-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,27,29)(H,28,30)
InChIKeyAHYVRWPGYILAJF-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.62
Rot. Bonds10

About 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide

2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide (PubChem CID 24538886) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide
PubChem CID24538886
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide
SMILESO=C(COCc1nc2ccccc2s1)NNC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O5S/c29-23(15-31-17-25-26-21-8-4-5-9-22(21)34-25)27-28-24(30)16-33-20-12-10-19(11-13-20)32-14-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,27,29)(H,28,30)
InChIKeyAHYVRWPGYILAJF-UHFFFAOYSA-N
XLogP3.62
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324359
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 24548350
1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 8801560
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
CID 9392276
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 24641656
1,3-benzothiazol-2-ylmethyl 3-phenylmethoxybenzoate
CID 7240035
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-thiophen-3-ylethyl)acetamide
CID 46399966
N-[2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]ethyl]furan-2-carboxamide
CID 43049275
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide (CID 24538886) is 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide is O=C(COCc1nc2ccccc2s1)NNC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide?
The InChIKey is AHYVRWPGYILAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c29-23(15-31-17-25-26-21-8-4-5-9-22(21)34-25)27-28-24(30)16-33-20-12-10-19(11-13-20)32-14-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,27,29)(H,28,30).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide?
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide has a molecular weight of 477.54 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 24538886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).