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

C14H11N3OS — CID 2444453

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccccn3)sc2c1
InChIInChI=1S/C14H11N3OS/c1-9-5-6-10-12(8-9)19-14(16-10)17-13(18)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17,18)
InChIKeyLNDSTXMUPUPEEE-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.25
Rot. Bonds2

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

N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 2444453) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID2444453
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccccn3)sc2c1
InChIInChI=1S/C14H11N3OS/c1-9-5-6-10-12(8-9)19-14(16-10)17-13(18)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17,18)
InChIKeyLNDSTXMUPUPEEE-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 2444453) is N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is Cc1ccc2nc(NC(=O)c3ccccn3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is LNDSTXMUPUPEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-9-5-6-10-12(8-9)19-14(16-10)17-13(18)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17,18).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 2444453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).