6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile

C11H10N4OS — CID 114181486

IUPAC6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H10N4OS/c1-7-2-3-8(4-12)10(14-7)13-5-9-6-17-11(16)15-9/h2-3,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyPHGNRPJKPAHMEM-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.62
Rot. Bonds3

About 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile

6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 114181486) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile
PubChem CID114181486
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H10N4OS/c1-7-2-3-8(4-12)10(14-7)13-5-9-6-17-11(16)15-9/h2-3,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyPHGNRPJKPAHMEM-UHFFFAOYSA-N
XLogP1.62
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile (CID 114181486) is 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is PHGNRPJKPAHMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-7-2-3-8(4-12)10(14-7)13-5-9-6-17-11(16)15-9/h2-3,6H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile?
6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 246.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 114181486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).