5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile

C11H11N5S — CID 103468421

IUPAC5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1ncsc1CNc1ncc(C#N)cc1N
InChIInChI=1S/C11H11N5S/c1-7-10(17-6-16-7)5-15-11-9(13)2-8(3-12)4-14-11/h2,4,6H,5,13H2,1H3,(H,14,15)
InChIKeyDXFNAQQXYIHDAW-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.91
Rot. Bonds3

About 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile

5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 103468421) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
PubChem CID103468421
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1ncsc1CNc1ncc(C#N)cc1N
InChIInChI=1S/C11H11N5S/c1-7-10(17-6-16-7)5-15-11-9(13)2-8(3-12)4-14-11/h2,4,6H,5,13H2,1H3,(H,14,15)
InChIKeyDXFNAQQXYIHDAW-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

Analyze 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468821
5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468530
2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 113323976
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 114074457
2-amino-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 104716748
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile (CID 103468421) is 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile is Cc1ncsc1CNc1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is DXFNAQQXYIHDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7-10(17-6-16-7)5-15-11-9(13)2-8(3-12)4-14-11/h2,4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile?
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-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 5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).