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

C17H17N3O4S — CID 43953280

IUPACN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
SMILESCOc1cc(OC)c2nc(NNC(=O)c3ccccc3OC)sc2c1
InChIInChI=1S/C17H17N3O4S/c1-22-10-8-13(24-3)15-14(9-10)25-17(18-15)20-19-16(21)11-6-4-5-7-12(11)23-2/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyBLSSVYMWVWAOIX-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.08
Rot. Bonds6

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

N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide (PubChem CID 43953280) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
PubChem CID43953280
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
SMILESCOc1cc(OC)c2nc(NNC(=O)c3ccccc3OC)sc2c1
InChIInChI=1S/C17H17N3O4S/c1-22-10-8-13(24-3)15-14(9-10)25-17(18-15)20-19-16(21)11-6-4-5-7-12(11)23-2/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyBLSSVYMWVWAOIX-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'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953269
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600062
5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 3315557
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
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

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide?
The IUPAC name of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide (CID 43953280) is N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide?
The canonical SMILES for N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide is COc1cc(OC)c2nc(NNC(=O)c3ccccc3OC)sc2c1.
What is the InChIKey of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide?
The InChIKey is BLSSVYMWVWAOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-10-8-13(24-3)15-14(9-10)25-17(18-15)20-19-16(21)11-6-4-5-7-12(11)23-2/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide?
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-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'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide is sourced from PubChem (CID 43953280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).