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

C11H12N2O4S — CID 117191181

IUPAC4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine
SMILESCOc1cccc(OCC2=CS(=O)(=O)C(N)=N2)c1
InChIInChI=1S/C11H12N2O4S/c1-16-9-3-2-4-10(5-9)17-6-8-7-18(14,15)11(12)13-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyFKEKFNSFECKJFZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.66
Rot. Bonds4

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

4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine (PubChem CID 117191181) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine
PubChem CID117191181
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine
SMILESCOc1cccc(OCC2=CS(=O)(=O)C(N)=N2)c1
InChIInChI=1S/C11H12N2O4S/c1-16-9-3-2-4-10(5-9)17-6-8-7-18(14,15)11(12)13-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyFKEKFNSFECKJFZ-UHFFFAOYSA-N
XLogP0.66
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-methoxyphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117170661
4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide
CID 117191202
2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
CID 117220355
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine
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4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117216367
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067
1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
CID 117217960
3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
CID 80752679
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine?
The IUPAC name of 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine (CID 117191181) is 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine is COc1cccc(OCC2=CS(=O)(=O)C(N)=N2)c1.
What is the InChIKey of 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine?
The InChIKey is FKEKFNSFECKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-16-9-3-2-4-10(5-9)17-6-8-7-18(14,15)11(12)13-8/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine?
4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine has a molecular weight of 268.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine is sourced from PubChem (CID 117191181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).