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

C10H8FN3O3S — CID 54915125

IUPAC4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc([N+](=O)[O-])cc2F)cs1
InChIInChI=1S/C10H8FN3O3S/c11-8-3-7(14(15)16)1-2-9(8)17-4-6-5-18-10(12)13-6/h1-3,5H,4H2,(H2,12,13)
InChIKeyUJBWEVOZUXQRBN-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.35
Rot. Bonds4

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

4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 54915125) has the molecular formula C10H8FN3O3S and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID54915125
Molecular FormulaC10H8FN3O3S
Molecular Weight269.26 g/mol
Exact Mass269.03
IUPAC Name4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc([N+](=O)[O-])cc2F)cs1
InChIInChI=1S/C10H8FN3O3S/c11-8-3-7(14(15)16)1-2-9(8)17-4-6-5-18-10(12)13-6/h1-3,5H,4H2,(H2,12,13)
InChIKeyUJBWEVOZUXQRBN-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'}

Analyze 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Phenoxymethyl)-1,3-thiazol-2-amine
CID 2050028
4-[(2-Fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137861
4-ethyl-N-(3-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-amine
CID 58791564
5-(2-Fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine
CID 87638687
4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine
CID 89438846
4-(4-Nitrophenoxy)-1,3-thiazol-2-amine
CID 15268963
2-(p-Ethoxyphenylamino)-4-methylthiazole
CID 110180011
N-(2-fluorophenyl)-N-[4-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 8284349
4-[(5-fluoro-2-nitrophenoxy)methyl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 9483873
N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 34323907
N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 34323914
2-Tert-butyl-4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole
CID 39529268

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine (CID 54915125) is 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine is Nc1nc(COc2ccc([N+](=O)[O-])cc2F)cs1.
What is the InChIKey of 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is UJBWEVOZUXQRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3S/c11-8-3-7(14(15)16)1-2-9(8)17-4-6-5-18-10(12)13-6/h1-3,5H,4H2,(H2,12,13).
What are the key properties of 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
4-[(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 4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54915125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).