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

C11H13N5O2S — CID 106041685

IUPAC6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine
SMILESCc1nc(CCNc2cc([N+](=O)[O-])cc(N)n2)cs1
InChIInChI=1S/C11H13N5O2S/c1-7-14-8(6-19-7)2-3-13-11-5-9(16(17)18)4-10(12)15-11/h4-6H,2-3H2,1H3,(H3,12,13,15)
InChIKeyYETXRGAFIUVKJQ-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.99
Rot. Bonds5

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

6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine (PubChem CID 106041685) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine
PubChem CID106041685
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine
SMILESCc1nc(CCNc2cc([N+](=O)[O-])cc(N)n2)cs1
InChIInChI=1S/C11H13N5O2S/c1-7-14-8(6-19-7)2-3-13-11-5-9(16(17)18)4-10(12)15-11/h4-6H,2-3H2,1H3,(H3,12,13,15)
InChIKeyYETXRGAFIUVKJQ-UHFFFAOYSA-N
XLogP1.99
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.99
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'}

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Related Compounds

6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106040897
6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106041934
5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106163382
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide
CID 38163378
1-N-ethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitrobenzene-1,3-diamine
CID 80807047
6-N-[(5-ethylthiophen-2-yl)methyl]-4-nitropyridine-2,6-diamine
CID 106015252
5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106049683
3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 106036110
2-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-nitrobenzamide
CID 103809575
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 106034851

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine (CID 106041685) is 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine is Cc1nc(CCNc2cc([N+](=O)[O-])cc(N)n2)cs1.
What is the InChIKey of 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine?
The InChIKey is YETXRGAFIUVKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-7-14-8(6-19-7)2-3-13-11-5-9(16(17)18)4-10(12)15-11/h4-6H,2-3H2,1H3,(H3,12,13,15).
What are the key properties of 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine?
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine has a molecular weight of 279.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine is sourced from PubChem (CID 106041685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).