1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine

C9H9N3O3S — CID 117188137

IUPAC1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine
SMILESNC1=CN=C(COc2cccnc2)S1(=O)=O
InChIInChI=1S/C9H9N3O3S/c10-8-5-12-9(16(8,13)14)6-15-7-2-1-3-11-4-7/h1-5H,6,10H2
InChIKeyMLKGZTHASMNDMB-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.04
Rot. Bonds3

About 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine

1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine (PubChem CID 117188137) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine
PubChem CID117188137
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine
SMILESNC1=CN=C(COc2cccnc2)S1(=O)=O
InChIInChI=1S/C9H9N3O3S/c10-8-5-12-9(16(8,13)14)6-15-7-2-1-3-11-4-7/h1-5H,6,10H2
InChIKeyMLKGZTHASMNDMB-UHFFFAOYSA-N
XLogP0.04
TPSA94.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine
CID 117188080
5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine
CID 117217667
1,1-dioxo-2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-ol
CID 117183065
3-(3-phenoxypropoxy)pyridine
CID 86195847
2-methyl-4-(pyridin-3-yloxymethyl)aniline
CID 117220552
2-chloro-5-(pyridin-3-yloxymethyl)aniline
CID 117221990
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
6-pyridin-3-yloxyhexan-1-amine;hydrochloride
CID 131726699
5-methyl-4-(pyridin-3-yloxymethyl)thiophene-2-carboxylic acid
CID 80730982
1-ethyl-3-(pyridin-3-yloxymethyl)pyrazol-5-amine
CID 117216077

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine?
The IUPAC name of 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine (CID 117188137) is 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine is NC1=CN=C(COc2cccnc2)S1(=O)=O.
What is the InChIKey of 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine?
The InChIKey is MLKGZTHASMNDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-8-5-12-9(16(8,13)14)6-15-7-2-1-3-11-4-7/h1-5H,6,10H2.
What are the key properties of 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine?
1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine has a molecular weight of 239.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 117188137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).