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

C11H11N5S — CID 82816661

IUPAC3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1csc(CNc2nccc(C#N)c2N)n1
InChIInChI=1S/C11H11N5S/c1-7-6-17-9(16-7)5-15-11-10(13)8(4-12)2-3-14-11/h2-3,6H,5,13H2,1H3,(H,14,15)
InChIKeyVYXSGTCNFHHOJE-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.91
Rot. Bonds3

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

3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 82816661) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID82816661
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1csc(CNc2nccc(C#N)c2N)n1
InChIInChI=1S/C11H11N5S/c1-7-6-17-9(16-7)5-15-11-10(13)8(4-12)2-3-14-11/h2-3,6H,5,13H2,1H3,(H,14,15)
InChIKeyVYXSGTCNFHHOJE-UHFFFAOYSA-N
XLogP1.91
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile (CID 82816661) is 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile is Cc1csc(CNc2nccc(C#N)c2N)n1.
What is the InChIKey of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is VYXSGTCNFHHOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7-6-17-9(16-7)5-15-11-10(13)8(4-12)2-3-14-11/h2-3,6H,5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile?
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82816661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).