2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine

C12H16N4O2S — CID 103554809

IUPAC2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine
SMILESCCC(Nc1c([N+](=O)[O-])nc(C)n1C)c1cccs1
InChIInChI=1S/C12H16N4O2S/c1-4-9(10-6-5-7-19-10)14-11-12(16(17)18)13-8(2)15(11)3/h5-7,9,14H,4H2,1-3H3
InChIKeyCJJCKDPXTVIQHM-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.26
Rot. Bonds5

About 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine

2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine (PubChem CID 103554809) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine
PubChem CID103554809
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine
SMILESCCC(Nc1c([N+](=O)[O-])nc(C)n1C)c1cccs1
InChIInChI=1S/C12H16N4O2S/c1-4-9(10-6-5-7-19-10)14-11-12(16(17)18)13-8(2)15(11)3/h5-7,9,14H,4H2,1-3H3
InChIKeyCJJCKDPXTVIQHM-UHFFFAOYSA-N
XLogP3.26
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.26
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-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 103554673
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]propane-1,3-diol
CID 103696551
N-[1-(furan-2-yl)ethyl]-2,3-dimethyl-5-nitroimidazol-4-amine
CID 49428433
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
3-ethyl-1-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66016189
2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine
CID 103554894
1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66010845
2-nitro-5-(1-thiophen-2-ylpropylamino)benzonitrile
CID 115500249
N-[1-(3-fluorophenyl)ethyl]-2,3-dimethyl-5-nitroimidazol-4-amine
CID 103554808
1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 43204555
N-(1-methoxy-3-methylbutan-2-yl)-2,3-dimethyl-5-nitroimidazol-4-amine
CID 113243945
4-chloro-3-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 43719388

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine?
The IUPAC name of 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine (CID 103554809) is 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine.
What is the SMILES notation for 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine?
The canonical SMILES for 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine is CCC(Nc1c([N+](=O)[O-])nc(C)n1C)c1cccs1.
What is the InChIKey of 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine?
The InChIKey is CJJCKDPXTVIQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-4-9(10-6-5-7-19-10)14-11-12(16(17)18)13-8(2)15(11)3/h5-7,9,14H,4H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine?
2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine has a molecular weight of 280.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine is sourced from PubChem (CID 103554809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).