2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile

C11H9ClN4S — CID 83077497

IUPAC2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)c1nccs1
InChIInChI=1S/C11H9ClN4S/c1-7(11-14-2-3-17-11)15-10-5-8(6-13)4-9(12)16-10/h2-5,7H,1H3,(H,15,16)
InChIKeyWVXABLGQKNAYBA-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.24
Rot. Bonds3

About 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile

2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile (PubChem CID 83077497) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile
PubChem CID83077497
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)c1nccs1
InChIInChI=1S/C11H9ClN4S/c1-7(11-14-2-3-17-11)15-10-5-8(6-13)4-9(12)16-10/h2-5,7H,1H3,(H,15,16)
InChIKeyWVXABLGQKNAYBA-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile (CID 83077497) is 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile is CC(Nc1cc(C#N)cc(Cl)n1)c1nccs1.
What is the InChIKey of 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is WVXABLGQKNAYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c1-7(11-14-2-3-17-11)15-10-5-8(6-13)4-9(12)16-10/h2-5,7H,1H3,(H,15,16).
What are the key properties of 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile?
2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 264.74 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83077497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).