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

C10H11N5O2S2 — CID 80894200

IUPAC6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine
SMILESCCc1nsc(Sc2nc(NC)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H11N5O2S2/c1-3-7-13-10(19-14-7)18-9-6(15(16)17)4-5-8(11-2)12-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyXMBAQRDVNJFCHJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.60
Rot. Bonds5

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

6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine (PubChem CID 80894200) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine
PubChem CID80894200
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC Name6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine
SMILESCCc1nsc(Sc2nc(NC)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H11N5O2S2/c1-3-7-13-10(19-14-7)18-9-6(15(16)17)4-5-8(11-2)12-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyXMBAQRDVNJFCHJ-UHFFFAOYSA-N
XLogP2.60
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3-amino-2-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)pyridine
CID 902029
6-(4-fluorophenyl)sulfanyl-N-methyl-5-nitropyridin-2-amine
CID 80882650
6-(2-fluorophenyl)sulfanyl-N-methyl-5-nitropyridin-2-amine
CID 80884605
6-(2,5-difluorophenyl)sulfanyl-N-methyl-5-nitropyridin-2-amine
CID 80884639
6-(3,4-difluorophenyl)sulfanyl-N-methyl-5-nitropyridin-2-amine
CID 80886838
6-(2,4-difluorophenyl)sulfanyl-N-methyl-5-nitropyridin-2-amine
CID 80893344
6-(3-fluorophenyl)sulfanyl-N-methyl-5-nitropyridin-2-amine
CID 80894850
2-Methylamino-3-nitro-6-phenylthiopyridine
CID 10730126
6-chloro-N-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]methyl]-3-nitropyridin-2-amine
CID 88922469
6-methylsulfanyl-3-nitro-N-propylpyridin-2-amine
CID 141765716
N-cyclobutyl-6-methylsulfanyl-3-nitropyridin-2-amine
CID 141765738
N-ethyl-6-methylsulfinyl-3-nitropyridin-2-amine
CID 141765743

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine (CID 80894200) is 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine is CCc1nsc(Sc2nc(NC)ccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine?
The InChIKey is XMBAQRDVNJFCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-3-7-13-10(19-14-7)18-9-6(15(16)17)4-5-8(11-2)12-9/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine?
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine has a molecular weight of 297.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80894200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).