6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine

C12H14N4O3S — CID 106928658

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C12H14N4O3S/c1-4-13-10-6-5-9(16(17)18)11(15-10)20-12-14-7(2)8(3)19-12/h5-6H,4H2,1-3H3,(H,13,15)
InChIKeyQEDDXGSUVFSTDK-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.18
Rot. Bonds5

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine (PubChem CID 106928658) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine
PubChem CID106928658
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C12H14N4O3S/c1-4-13-10-6-5-9(16(17)18)11(15-10)20-12-14-7(2)8(3)19-12/h5-6H,4H2,1-3H3,(H,13,15)
InChIKeyQEDDXGSUVFSTDK-UHFFFAOYSA-N
XLogP3.18
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.18
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

6-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine
CID 104605012
N-ethyl-6-(3-methylbutylsulfanyl)-5-nitropyridin-2-amine
CID 107766034
tert-butyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]sulfanyl]acetate
CID 116688261
2-(3-ethoxy-4-nitrophenyl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 133426823
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
CID 106928878
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 106379036
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136914251
(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
CID 80924423
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine
CID 80894200

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine (CID 106928658) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(Sc2nc(C)c(C)o2)n1.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is QEDDXGSUVFSTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-4-13-10-6-5-9(16(17)18)11(15-10)20-12-14-7(2)8(3)19-12/h5-6H,4H2,1-3H3,(H,13,15).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 294.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 106928658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).