N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide

C18H19N3O3S — CID 7600418

IUPACN'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
SMILESCCc1ccc2nc(NNC(=O)c3cccc(OC)c3OC)sc2c1
InChIInChI=1S/C18H19N3O3S/c1-4-11-8-9-13-15(10-11)25-18(19-13)21-20-17(22)12-6-5-7-14(23-2)16(12)24-3/h5-10H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyOEYHYQYMXGPBMW-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.63
Rot. Bonds6

About N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide

N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide (PubChem CID 7600418) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
PubChem CID7600418
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
SMILESCCc1ccc2nc(NNC(=O)c3cccc(OC)c3OC)sc2c1
InChIInChI=1S/C18H19N3O3S/c1-4-11-8-9-13-15(10-11)25-18(19-13)21-20-17(22)12-6-5-7-14(23-2)16(12)24-3/h5-10H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyOEYHYQYMXGPBMW-UHFFFAOYSA-N
XLogP3.63
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.63
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

N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600552
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600062
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
CID 2452584
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 4776340
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 16551618
2-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 8873943
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 3622870
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide
CID 43953324

Frequently Asked Questions

What is the IUPAC name of N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The IUPAC name of N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide (CID 7600418) is N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The canonical SMILES for N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide is CCc1ccc2nc(NNC(=O)c3cccc(OC)c3OC)sc2c1.
What is the InChIKey of N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The InChIKey is OEYHYQYMXGPBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-11-8-9-13-15(10-11)25-18(19-13)21-20-17(22)12-6-5-7-14(23-2)16(12)24-3/h5-10H,4H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide has a molecular weight of 357.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide is sourced from PubChem (CID 7600418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).