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

C11H9ClN4S — CID 107057231

IUPAC3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1csc(CNc2nccc(C#N)c2Cl)n1
InChIInChI=1S/C11H9ClN4S/c1-7-6-17-9(16-7)5-15-11-10(12)8(4-13)2-3-14-11/h2-3,6H,5H2,1H3,(H,14,15)
InChIKeyOASNOTVMAPVCMD-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.98
Rot. Bonds3

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

3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 107057231) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID107057231
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1csc(CNc2nccc(C#N)c2Cl)n1
InChIInChI=1S/C11H9ClN4S/c1-7-6-17-9(16-7)5-15-11-10(12)8(4-13)2-3-14-11/h2-3,6H,5H2,1H3,(H,14,15)
InChIKeyOASNOTVMAPVCMD-UHFFFAOYSA-N
XLogP2.98
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-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

3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
CID 82816661
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587
3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile
CID 107057764
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 55026390
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307
2-amino-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 113323900
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carbonitrile
CID 64588768

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile (CID 107057231) is 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile is Cc1csc(CNc2nccc(C#N)c2Cl)n1.
What is the InChIKey of 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is OASNOTVMAPVCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c1-7-6-17-9(16-7)5-15-11-10(12)8(4-13)2-3-14-11/h2-3,6H,5H2,1H3,(H,14,15).
What are the key properties of 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile?
3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 264.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).