N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide

C17H10N6O2S — CID 167710165

IUPACN-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide
SMILESN#CC(C#N)=NCc1ccc2nc(NC(=O)c3ncccc3O)sc2c1
InChIInChI=1S/C17H10N6O2S/c18-7-11(8-19)21-9-10-3-4-12-14(6-10)26-17(22-12)23-16(25)15-13(24)2-1-5-20-15/h1-6,24H,9H2,(H,22,23,25)
InChIKeyZRZWZDWLTZHTPK-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.64
Rot. Bonds4

About N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide

N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 167710165) has the molecular formula C17H10N6O2S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID167710165
Molecular FormulaC17H10N6O2S
Molecular Weight362.37 g/mol
Exact Mass362.06
IUPAC NameN-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide
SMILESN#CC(C#N)=NCc1ccc2nc(NC(=O)c3ncccc3O)sc2c1
InChIInChI=1S/C17H10N6O2S/c18-7-11(8-19)21-9-10-3-4-12-14(6-10)26-17(22-12)23-16(25)15-13(24)2-1-5-20-15/h1-6,24H,9H2,(H,22,23,25)
InChIKeyZRZWZDWLTZHTPK-UHFFFAOYSA-N
XLogP2.64
TPSA135.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 139337427
benzyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 139337507
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104740830
2-[[2-(4-fluorophenyl)-1,3-benzothiazol-6-yl]methylimino]propanedinitrile
CID 167648771
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
2-(1,3-benzothiazol-5-ylmethylimino)propanedinitrile
CID 167561437
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
N-[6-[(dimethylamino)methyl]-1,3-benzothiazol-2-yl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 175160658
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide
CID 16906882
3-hydroxy-5-[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methyl-1,3-benzothiazol-6-yl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 139337463
4-[(diaminomethylideneamino)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide;methanesulfonic acid
CID 172724800

Frequently Asked Questions

What is the IUPAC name of N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide (CID 167710165) is N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide is N#CC(C#N)=NCc1ccc2nc(NC(=O)c3ncccc3O)sc2c1.
What is the InChIKey of N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is ZRZWZDWLTZHTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N6O2S/c18-7-11(8-19)21-9-10-3-4-12-14(6-10)26-17(22-12)23-16(25)15-13(24)2-1-5-20-15/h1-6,24H,9H2,(H,22,23,25).
What are the key properties of N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide?
N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 362.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 167710165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).