4-(4-nitrophenoxy)-1,3-thiazol-2-amine

C9H7N3O3S — CID 15268963

IUPAC4-(4-nitrophenoxy)-1,3-thiazol-2-amine
SMILESNc1nc(Oc2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C9H7N3O3S/c10-9-11-8(5-16-9)15-7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)
InChIKeyQSXGMNMDMHYKEW-UHFFFAOYSA-N
MW237.24 g/mol
LogP2.43
Rot. Bonds3

About 4-(4-nitrophenoxy)-1,3-thiazol-2-amine

4-(4-nitrophenoxy)-1,3-thiazol-2-amine (PubChem CID 15268963) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-nitrophenoxy)-1,3-thiazol-2-amine
PubChem CID15268963
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name4-(4-nitrophenoxy)-1,3-thiazol-2-amine
SMILESNc1nc(Oc2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C9H7N3O3S/c10-9-11-8(5-16-9)15-7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)
InChIKeyQSXGMNMDMHYKEW-UHFFFAOYSA-N
XLogP2.43
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-nitrophenoxy)-1,3-thiazol-2-amine (CID 15268963) is 4-(4-nitrophenoxy)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-nitrophenoxy)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-nitrophenoxy)-1,3-thiazol-2-amine is Nc1nc(Oc2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 4-(4-nitrophenoxy)-1,3-thiazol-2-amine?
The InChIKey is QSXGMNMDMHYKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c10-9-11-8(5-16-9)15-7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11).
What are the key properties of 4-(4-nitrophenoxy)-1,3-thiazol-2-amine?
4-(4-nitrophenoxy)-1,3-thiazol-2-amine has a molecular weight of 237.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)-1,3-thiazol-2-amine is sourced from PubChem (CID 15268963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).