5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine

C10H8FN3O3S — CID 79773924

IUPAC5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc([N+](=O)[O-])cc2F)s1
InChIInChI=1S/C10H8FN3O3S/c11-8-3-6(14(15)16)1-2-9(8)17-5-7-4-13-10(12)18-7/h1-4H,5H2,(H2,12,13)
InChIKeyJVBBWXXXSNOGLD-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.35
Rot. Bonds4

About 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine

5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79773924) has the molecular formula C10H8FN3O3S and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79773924
Molecular FormulaC10H8FN3O3S
Molecular Weight269.26 g/mol
Exact Mass269.03
IUPAC Name5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc([N+](=O)[O-])cc2F)s1
InChIInChI=1S/C10H8FN3O3S/c11-8-3-6(14(15)16)1-2-9(8)17-5-7-4-13-10(12)18-7/h1-4H,5H2,(H2,12,13)
InChIKeyJVBBWXXXSNOGLD-UHFFFAOYSA-N
XLogP2.35
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.35
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 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine (CID 79773924) is 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine is Nc1ncc(COc2ccc([N+](=O)[O-])cc2F)s1.
What is the InChIKey of 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is JVBBWXXXSNOGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3S/c11-8-3-6(14(15)16)1-2-9(8)17-5-7-4-13-10(12)18-7/h1-4H,5H2,(H2,12,13).
What are the key properties of 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 269.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79773924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).