N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide

C17H17N3O4S — CID 43953289

IUPACN'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)c1
InChIInChI=1S/C17H17N3O4S/c1-22-11-6-4-5-10(9-11)16(21)19-20-17-18-14-12(23-2)7-8-13(24-3)15(14)25-17/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyZGQYJYUAIXZFPF-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.08
Rot. Bonds6

About N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide

N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide (PubChem CID 43953289) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
PubChem CID43953289
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)c1
InChIInChI=1S/C17H17N3O4S/c1-22-11-6-4-5-10(9-11)16(21)19-20-17-18-14-12(23-2)7-8-13(24-3)15(14)25-17/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyZGQYJYUAIXZFPF-UHFFFAOYSA-N
XLogP3.08
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 5205718
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzohydrazide
CID 41074302
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192918
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927

Frequently Asked Questions

What is the IUPAC name of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide?
The IUPAC name of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide (CID 43953289) is N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide.
What is the SMILES notation for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide?
The canonical SMILES for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide is COc1cccc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)c1.
What is the InChIKey of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide?
The InChIKey is ZGQYJYUAIXZFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-11-6-4-5-10(9-11)16(21)19-20-17-18-14-12(23-2)7-8-13(24-3)15(14)25-17/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide?
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide has a molecular weight of 359.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide is sourced from PubChem (CID 43953289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).