3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine

C10H11N5O2S — CID 79815784

IUPAC3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
SMILESNc1nc(NCCc2cscn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2S/c11-10-8(15(16)17)1-2-9(14-10)12-4-3-7-5-18-6-13-7/h1-2,5-6H,3-4H2,(H3,11,12,14)
InChIKeyWIVUZDBDGUFNEF-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.68
Rot. Bonds5

About 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine

3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine (PubChem CID 79815784) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
PubChem CID79815784
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
SMILESNc1nc(NCCc2cscn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2S/c11-10-8(15(16)17)1-2-9(14-10)12-4-3-7-5-18-6-13-7/h1-2,5-6H,3-4H2,(H3,11,12,14)
InChIKeyWIVUZDBDGUFNEF-UHFFFAOYSA-N
XLogP1.68
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
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'}

Analyze 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 80711079
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106040897
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 80647285
2-nitro-3-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
CID 80846275
4-methyl-2-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 63830455
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
3-ethoxy-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 63830447
6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
CID 115306741
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine (CID 79815784) is 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine is Nc1nc(NCCc2cscn2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine?
The InChIKey is WIVUZDBDGUFNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-10-8(15(16)17)1-2-9(14-10)12-4-3-7-5-18-6-13-7/h1-2,5-6H,3-4H2,(H3,11,12,14).
What are the key properties of 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine?
3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine has a molecular weight of 265.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 79815784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).