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

C13H13ClN4S — CID 133335763

IUPAC3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESCCc1cnc(C(C)Nc2ccc(Cl)c(C#N)n2)s1
InChIInChI=1S/C13H13ClN4S/c1-3-9-7-16-13(19-9)8(2)17-12-5-4-10(14)11(6-15)18-12/h4-5,7-8H,3H2,1-2H3,(H,17,18)
InChIKeyGXXAEHIMVRGCHM-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.80
Rot. Bonds4

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

3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133335763) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID133335763
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESCCc1cnc(C(C)Nc2ccc(Cl)c(C#N)n2)s1
InChIInChI=1S/C13H13ClN4S/c1-3-9-7-16-13(19-9)8(2)17-12-5-4-10(14)11(6-15)18-12/h4-5,7-8H,3H2,1-2H3,(H,17,18)
InChIKeyGXXAEHIMVRGCHM-UHFFFAOYSA-N
XLogP3.80
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 112697226
3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile
CID 130638110
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 112697218
2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile
CID 164631807
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337
3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
CID 133417849
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-3-nitrobenzonitrile
CID 115681183
3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
CID 133333173
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
CID 133416856
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97059499
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile (CID 133335763) is 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile is CCc1cnc(C(C)Nc2ccc(Cl)c(C#N)n2)s1.
What is the InChIKey of 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is GXXAEHIMVRGCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-3-9-7-16-13(19-9)8(2)17-12-5-4-10(14)11(6-15)18-12/h4-5,7-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 292.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133335763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).