N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide

C17H15N3O5S — CID 43953324

IUPACN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NNc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C17H15N3O5S/c1-22-10-4-3-5-11(23-2)15(10)16(21)19-20-17-18-9-6-12-13(25-8-24-12)7-14(9)26-17/h3-7H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWWPYRZVMNRGLGJ-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.80
Rot. Bonds5

About N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide

N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide (PubChem CID 43953324) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide
PubChem CID43953324
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NNc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C17H15N3O5S/c1-22-10-4-3-5-11(23-2)15(10)16(21)19-20-17-18-9-6-12-13(25-8-24-12)7-14(9)26-17/h3-7H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWWPYRZVMNRGLGJ-UHFFFAOYSA-N
XLogP2.80
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide 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'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide
CID 43953308
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
CID 7105680
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
CID 5310257
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968835
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 7202716
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7110097
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600552
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)thietane-3-carboxamide
CID 167949704
1-[2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 7110089

Frequently Asked Questions

What is the IUPAC name of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide?
The IUPAC name of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide (CID 43953324) is N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide.
What is the SMILES notation for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide?
The canonical SMILES for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide is COc1cccc(OC)c1C(=O)NNc1nc2cc3c(cc2s1)OCO3.
What is the InChIKey of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide?
The InChIKey is WWPYRZVMNRGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-22-10-4-3-5-11(23-2)15(10)16(21)19-20-17-18-9-6-12-13(25-8-24-12)7-14(9)26-17/h3-7H,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide?
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide has a molecular weight of 373.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide is sourced from PubChem (CID 43953324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).