3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

C14H13N5OS — CID 105071555

IUPAC3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccncc3NN)sc2c1
InChIInChI=1S/C14H13N5OS/c1-8-2-3-10-12(6-8)21-14(17-10)18-13(20)9-4-5-16-7-11(9)19-15/h2-7,19H,15H2,1H3,(H,17,18,20)
InChIKeyHVTROZREQIVUEU-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.54
Rot. Bonds3

About 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 105071555) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID105071555
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccncc3NN)sc2c1
InChIInChI=1S/C14H13N5OS/c1-8-2-3-10-12(6-8)21-14(17-10)18-13(20)9-4-5-16-7-11(9)19-15/h2-7,19H,15H2,1H3,(H,17,18,20)
InChIKeyHVTROZREQIVUEU-UHFFFAOYSA-N
XLogP2.54
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 105071555) is 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is Cc1ccc2nc(NC(=O)c3ccncc3NN)sc2c1.
What is the InChIKey of 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is HVTROZREQIVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-8-2-3-10-12(6-8)21-14(17-10)18-13(20)9-4-5-16-7-11(9)19-15/h2-7,19H,15H2,1H3,(H,17,18,20).
What are the key properties of 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105071555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).