2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile

C10H8N4S — CID 61284852

IUPAC2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2nccs2)c1
InChIInChI=1S/C10H8N4S/c11-6-8-1-2-12-9(5-8)14-7-10-13-3-4-15-10/h1-5H,7H2,(H,12,14)
InChIKeyCRLBRUMCSUJVBJ-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.02
Rot. Bonds3

About 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile

2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile (PubChem CID 61284852) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile
PubChem CID61284852
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2nccs2)c1
InChIInChI=1S/C10H8N4S/c11-6-8-1-2-12-9(5-8)14-7-10-13-3-4-15-10/h1-5H,7H2,(H,12,14)
InChIKeyCRLBRUMCSUJVBJ-UHFFFAOYSA-N
XLogP2.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-nitro-3-(1,3-thiazol-2-ylmethylamino)benzonitrile
CID 113444433
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 62307193
5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile
CID 63674295
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
5-[[(4-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 115735515

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile (CID 61284852) is 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCc2nccs2)c1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile?
The InChIKey is CRLBRUMCSUJVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-6-8-1-2-12-9(5-8)14-7-10-13-3-4-15-10/h1-5H,7H2,(H,12,14).
What are the key properties of 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile?
2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile has a molecular weight of 216.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 61284852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).