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

C10H9FN2O3S — CID 117188080

IUPAC2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine
SMILESNC1=CN=C(COc2ccccc2F)S1(=O)=O
InChIInChI=1S/C10H9FN2O3S/c11-7-3-1-2-4-8(7)16-6-10-13-5-9(12)17(10,14)15/h1-5H,6,12H2
InChIKeyMSHQOWKQTRZMMV-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.79
Rot. Bonds3

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

2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine (PubChem CID 117188080) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine
PubChem CID117188080
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine
SMILESNC1=CN=C(COc2ccccc2F)S1(=O)=O
InChIInChI=1S/C10H9FN2O3S/c11-7-3-1-2-4-8(7)16-6-10-13-5-9(12)17(10,14)15/h1-5H,6,12H2
InChIKeyMSHQOWKQTRZMMV-UHFFFAOYSA-N
XLogP0.79
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
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 ≤ 105

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Related Compounds

2-[(2-fluorophenoxy)methyl]-1,3-thiazole 1,1-dioxide
CID 117186882
4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117172579
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
4-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464594
2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188220
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054
4-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117216359
5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid
CID 117217533
4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117170643
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole
CID 130552659

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine (CID 117188080) is 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine is NC1=CN=C(COc2ccccc2F)S1(=O)=O.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine?
The InChIKey is MSHQOWKQTRZMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c11-7-3-1-2-4-8(7)16-6-10-13-5-9(12)17(10,14)15/h1-5H,6,12H2.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine?
2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine has a molecular weight of 256.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine is sourced from PubChem (CID 117188080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).