5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine

C9H11N3O3S — CID 102770953

IUPAC5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NC2CC3CCC2O3)s1
InChIInChI=1S/C9H11N3O3S/c13-12(14)8-4-10-9(16-8)11-6-3-5-1-2-7(6)15-5/h4-7H,1-3H2,(H,10,11)
InChIKeyKBHIWEJYEKPCNN-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.78
Rot. Bonds3

About 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine

5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine (PubChem CID 102770953) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine
PubChem CID102770953
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(NC2CC3CCC2O3)s1
InChIInChI=1S/C9H11N3O3S/c13-12(14)8-4-10-9(16-8)11-6-3-5-1-2-7(6)15-5/h4-7H,1-3H2,(H,10,11)
InChIKeyKBHIWEJYEKPCNN-UHFFFAOYSA-N
XLogP1.78
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.78
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

4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 102770367
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazol-5-amine
CID 130757974
cis-(1R,3S)-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
CID 106322245
3-bromo-5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridin-4-amine
CID 103878152
N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770701
5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyridin-4-amine
CID 106749479
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine
CID 102770919
3-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 133420028
2,2-dimethyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
CID 102771172
N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine
CID 102770677
N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine
CID 102770963
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102769905

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine (CID 102770953) is 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(NC2CC3CCC2O3)s1.
What is the InChIKey of 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is KBHIWEJYEKPCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-12(14)8-4-10-9(16-8)11-6-3-5-1-2-7(6)15-5/h4-7H,1-3H2,(H,10,11).
What are the key properties of 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine?
5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 241.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 102770953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).