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

C12H13N5OS — CID 89105550

IUPAC4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
SMILESCCOc1nc(Nc2nc(C)cs2)cc(N)c1C#N
InChIInChI=1S/C12H13N5OS/c1-3-18-11-8(5-13)9(14)4-10(16-11)17-12-15-7(2)6-19-12/h4,6H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyWLKNBUKKMDEXIS-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.44
Rot. Bonds4

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

4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 89105550) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
PubChem CID89105550
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
SMILESCCOc1nc(Nc2nc(C)cs2)cc(N)c1C#N
InChIInChI=1S/C12H13N5OS/c1-3-18-11-8(5-13)9(14)4-10(16-11)17-12-15-7(2)6-19-12/h4,6H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyWLKNBUKKMDEXIS-UHFFFAOYSA-N
XLogP2.44
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile (CID 89105550) is 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile is CCOc1nc(Nc2nc(C)cs2)cc(N)c1C#N.
What is the InChIKey of 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is WLKNBUKKMDEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-3-18-11-8(5-13)9(14)4-10(16-11)17-12-15-7(2)6-19-12/h4,6H,3H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile?
4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 275.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 89105550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).