5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide

C14H13N3O2S — CID 9092602

IUPAC5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
SMILESCN(C)NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C14H13N3O2S/c1-17(2)16-13(18)10-7-8-11(19-10)14-15-9-5-3-4-6-12(9)20-14/h3-8H,1-2H3,(H,16,18)
InChIKeyUEIJQCKYHSUQEY-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.76
Rot. Bonds3

About 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide

5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide (PubChem CID 9092602) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
PubChem CID9092602
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
SMILESCN(C)NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C14H13N3O2S/c1-17(2)16-13(18)10-7-8-11(19-10)14-15-9-5-3-4-6-12(9)20-14/h3-8H,1-2H3,(H,16,18)
InChIKeyUEIJQCKYHSUQEY-UHFFFAOYSA-N
XLogP2.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
CID 46431780
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]furan-2-carboxamide
CID 55337342
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
methyl 3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-methylamino]-2-methylpropanoate
CID 87017906
methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide (CID 9092602) is 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide is CN(C)NC(=O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide?
The InChIKey is UEIJQCKYHSUQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-17(2)16-13(18)10-7-8-11(19-10)14-15-9-5-3-4-6-12(9)20-14/h3-8H,1-2H3,(H,16,18).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide?
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide has a molecular weight of 287.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide is sourced from PubChem (CID 9092602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).