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

C10H7F2N3O3S — CID 79774510

IUPAC5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2cc(F)c([N+](=O)[O-])cc2F)s1
InChIInChI=1S/C10H7F2N3O3S/c11-6-2-9(7(12)1-8(6)15(16)17)18-4-5-3-14-10(13)19-5/h1-3H,4H2,(H2,13,14)
InChIKeyGPVUUQJBHABUDM-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.49
Rot. Bonds4

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

5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79774510) has the molecular formula C10H7F2N3O3S and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79774510
Molecular FormulaC10H7F2N3O3S
Molecular Weight287.25 g/mol
Exact Mass287.02
IUPAC Name5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2cc(F)c([N+](=O)[O-])cc2F)s1
InChIInChI=1S/C10H7F2N3O3S/c11-6-2-9(7(12)1-8(6)15(16)17)18-4-5-3-14-10(13)19-5/h1-3H,4H2,(H2,13,14)
InChIKeyGPVUUQJBHABUDM-UHFFFAOYSA-N
XLogP2.49
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.49
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

CID 76310525
CID 76310525
1-(4-Butoxyphenyl)-3-(5-nitrothiazol-2-yl)urea
CID 76335942
2-Chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole
CID 1484584
1-[5-(2-Hydroxyethyl)-1,3-thiazol-2-yl]-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]urea
CID 172104012
N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 2336912
N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine
CID 87578146
5-(2-Fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine
CID 87638687
5-(4-Amino-2-fluorophenoxy)-1,3-thiazol-2-amine
CID 87639165
N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine
CID 88926284
(4-nitrophenyl) N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 121320446
5-[(5-Fluoro-2-nitrophenoxy)methyl]-2-methyl-1,3-thiazole
CID 78968779
5-[(3-Fluoro-4-nitrophenoxy)methyl]-2-methyl-1,3-thiazole
CID 78978866

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine (CID 79774510) is 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine is Nc1ncc(COc2cc(F)c([N+](=O)[O-])cc2F)s1.
What is the InChIKey of 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is GPVUUQJBHABUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O3S/c11-6-2-9(7(12)1-8(6)15(16)17)18-4-5-3-14-10(13)19-5/h1-3H,4H2,(H2,13,14).
What are the key properties of 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine?
5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 287.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).