5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine

C10H9FN2O3S — CID 117216982

IUPAC5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine
SMILESNC1=NS(=O)(=O)C(COc2ccc(F)cc2)=C1
InChIInChI=1S/C10H9FN2O3S/c11-7-1-3-8(4-2-7)16-6-9-5-10(12)13-17(9,14)15/h1-5H,6H2,(H2,12,13)
InChIKeyRVJORMCLZOSYID-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.79
Rot. Bonds3

About 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine

5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine (PubChem CID 117216982) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine
PubChem CID117216982
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine
SMILESNC1=NS(=O)(=O)C(COc2ccc(F)cc2)=C1
InChIInChI=1S/C10H9FN2O3S/c11-7-1-3-8(4-2-7)16-6-9-5-10(12)13-17(9,14)15/h1-5H,6H2,(H2,12,13)
InChIKeyRVJORMCLZOSYID-UHFFFAOYSA-N
XLogP0.79
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117172610
2-[(4-fluorophenoxy)methyl]-3,5-dimethylpyridin-4-amine
CID 103183013
5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79775144
4-[(4-fluorophenoxy)methyl]pyridin-3-amine
CID 105472082
3-[(4-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-5-amine
CID 117174524
5-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117176178
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820053
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine (CID 117216982) is 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine is NC1=NS(=O)(=O)C(COc2ccc(F)cc2)=C1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine?
The InChIKey is RVJORMCLZOSYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c11-7-1-3-8(4-2-7)16-6-9-5-10(12)13-17(9,14)15/h1-5H,6H2,(H2,12,13).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine?
5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine has a molecular weight of 256.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazol-3-amine is sourced from PubChem (CID 117216982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).