5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine

C10H15N3O2S — CID 102770919

IUPAC5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine
SMILESCC1(C)C(Nc2ncc([N+](=O)[O-])s2)C1(C)C
InChIInChI=1S/C10H15N3O2S/c1-9(2)7(10(9,3)4)12-8-11-5-6(16-8)13(14)15/h5,7H,1-4H3,(H,11,12)
InChIKeyGKXUQDADFFXNJA-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.90
Rot. Bonds3

About 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine

5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine (PubChem CID 102770919) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine
PubChem CID102770919
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine
SMILESCC1(C)C(Nc2ncc([N+](=O)[O-])s2)C1(C)C
InChIInChI=1S/C10H15N3O2S/c1-9(2)7(10(9,3)4)12-8-11-5-6(16-8)13(14)15/h5,7H,1-4H3,(H,11,12)
InChIKeyGKXUQDADFFXNJA-UHFFFAOYSA-N
XLogP2.90
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770701
2,2-dimethyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
CID 102771172
N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine
CID 102770963
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 102770367
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
cis-(1R,3S)-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
CID 106322245
2,2-dimethyl-5-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]-1,3-dioxane-4,6-dione
CID 5015792
5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine
CID 102770909
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102769905
5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine
CID 102770953
N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine
CID 102770677
N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine (CID 102770919) is 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine is CC1(C)C(Nc2ncc([N+](=O)[O-])s2)C1(C)C.
What is the InChIKey of 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine?
The InChIKey is GKXUQDADFFXNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-9(2)7(10(9,3)4)12-8-11-5-6(16-8)13(14)15/h5,7H,1-4H3,(H,11,12).
What are the key properties of 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine?
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine has a molecular weight of 241.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 102770919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).