6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile

C13H14N4S — CID 133325986

IUPAC6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCCc1cnc(CCNc2ccc(C#N)cn2)s1
InChIInChI=1S/C13H14N4S/c1-2-11-9-17-13(18-11)5-6-15-12-4-3-10(7-14)8-16-12/h3-4,8-9H,2,5-6H2,1H3,(H,15,16)
InChIKeyRLGCXUYSKHWJCG-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.63
Rot. Bonds5

About 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile

6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 133325986) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID133325986
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCCc1cnc(CCNc2ccc(C#N)cn2)s1
InChIInChI=1S/C13H14N4S/c1-2-11-9-17-13(18-11)5-6-15-12-4-3-10(7-14)8-16-12/h3-4,8-9H,2,5-6H2,1H3,(H,15,16)
InChIKeyRLGCXUYSKHWJCG-UHFFFAOYSA-N
XLogP2.63
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile (CID 133325986) is 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile is CCc1cnc(CCNc2ccc(C#N)cn2)s1.
What is the InChIKey of 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is RLGCXUYSKHWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-11-9-17-13(18-11)5-6-15-12-4-3-10(7-14)8-16-12/h3-4,8-9H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133325986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).