N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide

C16H15N3O3S — CID 43953260

IUPACN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1cc(OC)c2nc(NNC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C16H15N3O3S/c1-21-11-8-12(22-2)14-13(9-11)23-16(17-14)19-18-15(20)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyRPTZOQUCUYFOFF-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.07
Rot. Bonds5

About N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide

N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 43953260) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID43953260
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1cc(OC)c2nc(NNC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C16H15N3O3S/c1-21-11-8-12(22-2)14-13(9-11)23-16(17-14)19-18-15(20)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyRPTZOQUCUYFOFF-UHFFFAOYSA-N
XLogP3.07
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide 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

N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953269
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide (CID 43953260) is N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide is COc1cc(OC)c2nc(NNC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is RPTZOQUCUYFOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-11-8-12(22-2)14-13(9-11)23-16(17-14)19-18-15(20)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide?
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 329.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 43953260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).