N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide

C16H15N3O3S — CID 920195

IUPACN'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NNc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H15N3O3S/c1-21-11-6-8-12(9-7-11)22-10-15(20)18-19-16-17-13-4-2-3-5-14(13)23-16/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeySFKZPOSFNNVBOR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.83
Rot. Bonds6

About N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide

N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide (PubChem CID 920195) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide
PubChem CID920195
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NNc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H15N3O3S/c1-21-11-6-8-12(9-7-11)22-10-15(20)18-19-16-17-13-4-2-3-5-14(13)23-16/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeySFKZPOSFNNVBOR-UHFFFAOYSA-N
XLogP2.83
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.83
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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Related Compounds

[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2097657
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7706771
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
N-(1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)triazol-1-yl]acetamide
CID 155528498
[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate
CID 139796640
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1224431
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768
1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 86844358

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide (CID 920195) is N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide is COc1ccc(OCC(=O)NNc2nc3ccccc3s2)cc1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide?
The InChIKey is SFKZPOSFNNVBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-11-6-8-12(9-7-11)22-10-15(20)18-19-16-17-13-4-2-3-5-14(13)23-16/h2-9H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide?
N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide has a molecular weight of 329.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 920195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).