5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide

C14H12N4OS — CID 46881557

IUPAC5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
SMILESCNc1ccc2nc(-c3ccc(C(N)=O)nc3)sc2c1
InChIInChI=1S/C14H12N4OS/c1-16-9-3-5-10-12(6-9)20-14(18-10)8-2-4-11(13(15)19)17-7-8/h2-7,16H,1H3,(H2,15,19)
InChIKeyDZPUFETXQDBHEX-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.50
Rot. Bonds3

About 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide

5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide (PubChem CID 46881557) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
PubChem CID46881557
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
SMILESCNc1ccc2nc(-c3ccc(C(N)=O)nc3)sc2c1
InChIInChI=1S/C14H12N4OS/c1-16-9-3-5-10-12(6-9)20-14(18-10)8-2-4-11(13(15)19)17-7-8/h2-7,16H,1H3,(H2,15,19)
InChIKeyDZPUFETXQDBHEX-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide (CID 46881557) is 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide is CNc1ccc2nc(-c3ccc(C(N)=O)nc3)sc2c1.
What is the InChIKey of 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is DZPUFETXQDBHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-16-9-3-5-10-12(6-9)20-14(18-10)8-2-4-11(13(15)19)17-7-8/h2-7,16H,1H3,(H2,15,19).
What are the key properties of 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 46881557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).