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

C17H17N3O4S — CID 7105623

IUPAC2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1ccc2nc(NNC(=O)c3c(OC)cccc3OC)sc2c1
InChIInChI=1S/C17H17N3O4S/c1-22-10-7-8-11-14(9-10)25-17(18-11)20-19-16(21)15-12(23-2)5-4-6-13(15)24-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyROQUTUAXWJBIDJ-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.08
Rot. Bonds6

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

2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 7105623) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID7105623
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1ccc2nc(NNC(=O)c3c(OC)cccc3OC)sc2c1
InChIInChI=1S/C17H17N3O4S/c1-22-10-7-8-11-14(9-10)25-17(18-11)20-19-16(21)15-12(23-2)5-4-6-13(15)24-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyROQUTUAXWJBIDJ-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'}

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Related Compounds

N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide
CID 43953324
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
CID 7105680
4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953148
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
7-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888287
N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600552
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
CID 7105629
4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7105614
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (CID 7105623) is 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is COc1ccc2nc(NNC(=O)c3c(OC)cccc3OC)sc2c1.
What is the InChIKey of 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is ROQUTUAXWJBIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-10-7-8-11-14(9-10)25-17(18-11)20-19-16(21)15-12(23-2)5-4-6-13(15)24-3/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide 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 2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 7105623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).