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

C13H11N3O3S — CID 43953094

IUPACN'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
SMILESCOc1cccc2sc(NNC(=O)c3ccco3)nc12
InChIInChI=1S/C13H11N3O3S/c1-18-8-4-2-6-10-11(8)14-13(20-10)16-15-12(17)9-5-3-7-19-9/h2-7H,1H3,(H,14,16)(H,15,17)
InChIKeyVKSQYUPSFWUCLS-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.65
Rot. Bonds4

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

N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide (PubChem CID 43953094) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
PubChem CID43953094
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
SMILESCOc1cccc2sc(NNC(=O)c3ccco3)nc12
InChIInChI=1S/C13H11N3O3S/c1-18-8-4-2-6-10-11(8)14-13(20-10)16-15-12(17)9-5-3-7-19-9/h2-7H,1H3,(H,14,16)(H,15,17)
InChIKeyVKSQYUPSFWUCLS-UHFFFAOYSA-N
XLogP2.65
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.65
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-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide 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)furan-2-carbohydrazide
CID 43953269
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide
CID 43953096
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7599941
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide (CID 43953094) is N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide is COc1cccc2sc(NNC(=O)c3ccco3)nc12.
What is the InChIKey of N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide?
The InChIKey is VKSQYUPSFWUCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-18-8-4-2-6-10-11(8)14-13(20-10)16-15-12(17)9-5-3-7-19-9/h2-7H,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide?
N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide has a molecular weight of 289.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide is sourced from PubChem (CID 43953094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).