6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

C11H12N4O2S — CID 80711079

IUPAC6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1nc(NCCc2cscn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2S/c1-8-10(15(16)17)2-3-11(14-8)12-5-4-9-6-18-7-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyFZHPMWUEGKWZJC-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.41
Rot. Bonds5

About 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 80711079) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
PubChem CID80711079
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1nc(NCCc2cscn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2S/c1-8-10(15(16)17)2-3-11(14-8)12-5-4-9-6-18-7-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyFZHPMWUEGKWZJC-UHFFFAOYSA-N
XLogP2.41
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 79815784
4-methyl-2-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 63830455
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
3-ethoxy-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 63830447
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
2-bromo-5-methyl-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 103269504
2-methyl-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 55260079
N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 122154444
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106040897
2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 114045044
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 75426721

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (CID 80711079) is 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is Cc1nc(NCCc2cscn2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is FZHPMWUEGKWZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8-10(15(16)17)2-3-11(14-8)12-5-4-9-6-18-7-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,14).
What are the key properties of 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 264.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 80711079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).