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

C13H14N4S — CID 55026390

IUPAC4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1csc(CNc2nc(C)cc(C)c2C#N)n1
InChIInChI=1S/C13H14N4S/c1-8-4-9(2)17-13(11(8)5-14)15-6-12-16-10(3)7-18-12/h4,7H,6H2,1-3H3,(H,15,17)
InChIKeyJYFWPSMGCVXOAU-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.95
Rot. Bonds3

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

4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 55026390) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID55026390
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1csc(CNc2nc(C)cc(C)c2C#N)n1
InChIInChI=1S/C13H14N4S/c1-8-4-9(2)17-13(11(8)5-14)15-6-12-16-10(3)7-18-12/h4,7H,6H2,1-3H3,(H,15,17)
InChIKeyJYFWPSMGCVXOAU-UHFFFAOYSA-N
XLogP2.95
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile (CID 55026390) is 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile is Cc1csc(CNc2nc(C)cc(C)c2C#N)n1.
What is the InChIKey of 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is JYFWPSMGCVXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-8-4-9(2)17-13(11(8)5-14)15-6-12-16-10(3)7-18-12/h4,7H,6H2,1-3H3,(H,15,17).
What are the key properties of 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 55026390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).