6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile

C11H10N4S — CID 63611566

IUPAC6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)c1nccs1
InChIInChI=1S/C11H10N4S/c1-8(11-13-4-5-16-11)15-10-3-2-9(6-12)7-14-10/h2-5,7-8H,1H3,(H,14,15)
InChIKeyFFFRKLOZYAUZPZ-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.58
Rot. Bonds3

About 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile

6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 63611566) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID63611566
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)c1nccs1
InChIInChI=1S/C11H10N4S/c1-8(11-13-4-5-16-11)15-10-3-2-9(6-12)7-14-10/h2-5,7-8H,1H3,(H,14,15)
InChIKeyFFFRKLOZYAUZPZ-UHFFFAOYSA-N
XLogP2.58
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile
CID 83077497
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
CID 133333165
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 103946676
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-N-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80844662
4-methyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79176056
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 47357833
2-chloro-4-[1-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 63938853

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile (CID 63611566) is 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ccc(C#N)cn1)c1nccs1.
What is the InChIKey of 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is FFFRKLOZYAUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-8(11-13-4-5-16-11)15-10-3-2-9(6-12)7-14-10/h2-5,7-8H,1H3,(H,14,15).
What are the key properties of 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 230.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 63611566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).