5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile

C11H11N5S — CID 63831128

IUPAC5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCCc1cscn1
InChIInChI=1S/C11H11N5S/c12-4-8-3-9(13)5-15-11(8)14-2-1-10-6-17-7-16-10/h3,5-7H,1-2,13H2,(H,14,15)
InChIKeyOACPUQNYWSSKLY-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.65
Rot. Bonds4

About 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile

5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 63831128) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID63831128
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCCc1cscn1
InChIInChI=1S/C11H11N5S/c12-4-8-3-9(13)5-15-11(8)14-2-1-10-6-17-7-16-10/h3,5-7H,1-2,13H2,(H,14,15)
InChIKeyOACPUQNYWSSKLY-UHFFFAOYSA-N
XLogP1.65
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
2-amino-5-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 115499504
2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63830627
2-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 115367543
5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 55013948
5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile
CID 113326752
5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 79829755
2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63830219
3-methyl-2-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 107106915
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
CID 54951788
5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile
CID 55259715
tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517940

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile (CID 63831128) is 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NCCc1cscn1.
What is the InChIKey of 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is OACPUQNYWSSKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c12-4-8-3-9(13)5-15-11(8)14-2-1-10-6-17-7-16-10/h3,5-7H,1-2,13H2,(H,14,15).
What are the key properties of 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 63831128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).