N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine

C7H9N5O2S — CID 3038152

IUPACN-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
SMILESCN1CCN=C1Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C7H9N5O2S/c1-11-3-2-8-6(11)10-7-9-4-5(15-7)12(13)14/h4H,2-3H2,1H3,(H,8,9,10)
InChIKeyJTRRMFTWVJSBAA-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.76
Rot. Bonds2

About N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine

N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 3038152) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
PubChem CID3038152
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC NameN-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
SMILESCN1CCN=C1Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C7H9N5O2S/c1-11-3-2-8-6(11)10-7-9-4-5(15-7)12(13)14/h4H,2-3H2,1H3,(H,8,9,10)
InChIKeyJTRRMFTWVJSBAA-UHFFFAOYSA-N
XLogP0.76
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine (CID 3038152) is N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine is CN1CCN=C1Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is JTRRMFTWVJSBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-11-3-2-8-6(11)10-7-9-4-5(15-7)12(13)14/h4H,2-3H2,1H3,(H,8,9,10).
What are the key properties of N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine?
N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 227.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 3038152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).