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

C8H11N5O2S — CID 3038153

IUPACN-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
SMILESCCN1CCN=C1Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H11N5O2S/c1-2-12-4-3-9-7(12)11-8-10-5-6(16-8)13(14)15/h5H,2-4H2,1H3,(H,9,10,11)
InChIKeyVNYXTZQJJLBMQI-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.15
Rot. Bonds3

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

N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 3038153) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
PubChem CID3038153
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC NameN-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
SMILESCCN1CCN=C1Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H11N5O2S/c1-2-12-4-3-9-7(12)11-8-10-5-6(16-8)13(14)15/h5H,2-4H2,1H3,(H,9,10,11)
InChIKeyVNYXTZQJJLBMQI-UHFFFAOYSA-N
XLogP1.15
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.15
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-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine (CID 3038153) is N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine is CCN1CCN=C1Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is VNYXTZQJJLBMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-2-12-4-3-9-7(12)11-8-10-5-6(16-8)13(14)15/h5H,2-4H2,1H3,(H,9,10,11).
What are the key properties of N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine?
N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 241.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 3038153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).