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

C10H10N4O2S — CID 112689948

IUPAC2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1[N+](=O)[O-])c1nccs1
InChIInChI=1S/C10H10N4O2S/c1-7(10-12-5-6-17-10)13-8-3-2-4-11-9(8)14(15)16/h2-7,13H,1H3
InChIKeyUDNHWKPLKUJPKX-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.62
Rot. Bonds4

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

2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine (PubChem CID 112689948) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
PubChem CID112689948
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1[N+](=O)[O-])c1nccs1
InChIInChI=1S/C10H10N4O2S/c1-7(10-12-5-6-17-10)13-8-3-2-4-11-9(8)14(15)16/h2-7,13H,1H3
InChIKeyUDNHWKPLKUJPKX-UHFFFAOYSA-N
XLogP2.62
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.62
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

2-nitro-3-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 80843953
2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 112685164
N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine
CID 115597004
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
CID 103946656
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
4-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,1,3-benzoxadiazol-7-amine
CID 63612753
N-methyl-2-nitropyridin-3-amine
CID 555983
3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076
5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611914
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine (CID 112689948) is 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine is CC(Nc1cccnc1[N+](=O)[O-])c1nccs1.
What is the InChIKey of 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The InChIKey is UDNHWKPLKUJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-7(10-12-5-6-17-10)13-8-3-2-4-11-9(8)14(15)16/h2-7,13H,1H3.
What are the key properties of 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine has a molecular weight of 250.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 112689948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).