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

C16H15N3O3S — CID 7105536

IUPAC3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc3c(OC)cccc3s2)c1
InChIInChI=1S/C16H15N3O3S/c1-21-11-6-3-5-10(9-11)15(20)18-19-16-17-14-12(22-2)7-4-8-13(14)23-16/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyKHJYVJPZGBVTSW-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.07
Rot. Bonds5

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

3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 7105536) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID7105536
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc3c(OC)cccc3s2)c1
InChIInChI=1S/C16H15N3O3S/c1-21-11-6-3-5-10(9-11)15(20)18-19-16-17-14-12(22-2)7-4-8-13(14)23-16/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyKHJYVJPZGBVTSW-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'}

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Related Compounds

N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide
CID 43953096
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953094
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 5205718

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (CID 7105536) is 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is COc1cccc(C(=O)NNc2nc3c(OC)cccc3s2)c1.
What is the InChIKey of 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is KHJYVJPZGBVTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-11-6-3-5-10(9-11)15(20)18-19-16-17-14-12(22-2)7-4-8-13(14)23-16/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
3-methoxy-N'-(4-methoxy-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 3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 7105536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).