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

C11H9N5O2S — CID 63611914

IUPAC5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc([N+](=O)[O-])cc1C#N)c1nccs1
InChIInChI=1S/C11H9N5O2S/c1-7(11-13-2-3-19-11)15-10-8(5-12)4-9(6-14-10)16(17)18/h2-4,6-7H,1H3,(H,14,15)
InChIKeyYYEDWUOMJMUOSI-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.49
Rot. Bonds4

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

5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 63611914) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID63611914
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc([N+](=O)[O-])cc1C#N)c1nccs1
InChIInChI=1S/C11H9N5O2S/c1-7(11-13-2-3-19-11)15-10-8(5-12)4-9(6-14-10)16(17)18/h2-4,6-7H,1H3,(H,14,15)
InChIKeyYYEDWUOMJMUOSI-UHFFFAOYSA-N
XLogP2.49
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 60704178
5-nitro-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 60678708
2-[4-(dimethylamino)butan-2-ylamino]-5-nitropyridine-3-carbonitrile
CID 55037209
3-methyl-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577326
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
CID 62099704
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568
2-(hex-5-yn-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 115657892
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 106350790
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile (CID 63611914) is 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ncc([N+](=O)[O-])cc1C#N)c1nccs1.
What is the InChIKey of 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is YYEDWUOMJMUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c1-7(11-13-2-3-19-11)15-10-8(5-12)4-9(6-14-10)16(17)18/h2-4,6-7H,1H3,(H,14,15).
What are the key properties of 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile?
5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 275.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 63611914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).