2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide

C16H13Cl2N3O2S — CID 39966204

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
SMILESO=C(COCc1nc2ccccc2s1)NNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2S/c17-11-6-5-10(7-12(11)18)20-21-15(22)8-23-9-16-19-13-3-1-2-4-14(13)24-16/h1-7,20H,8-9H2,(H,21,22)
InChIKeyJQOPXKNMVMQILI-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.26
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide

2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide (PubChem CID 39966204) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
PubChem CID39966204
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
SMILESO=C(COCc1nc2ccccc2s1)NNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2S/c17-11-6-5-10(7-12(11)18)20-21-15(22)8-23-9-16-19-13-3-1-2-4-14(13)24-16/h1-7,20H,8-9H2,(H,21,22)
InChIKeyJQOPXKNMVMQILI-UHFFFAOYSA-N
XLogP4.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.26
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-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 9261212
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-sulfamoylphenyl)acetamide
CID 9035089
1,3-benzothiazol-2-ylmethyl 2,5-dichlorobenzoate
CID 2398017
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide
CID 31745788
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 24548350
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 24641656
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 39969285
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide
CID 9278562
N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46467466
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7594237
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide (CID 39966204) is 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide is O=C(COCc1nc2ccccc2s1)NNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide?
The InChIKey is JQOPXKNMVMQILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c17-11-6-5-10(7-12(11)18)20-21-15(22)8-23-9-16-19-13-3-1-2-4-14(13)24-16/h1-7,20H,8-9H2,(H,21,22).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide?
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide has a molecular weight of 382.27 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide is sourced from PubChem (CID 39966204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).