4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine

C8H9N3O2S — CID 14814702

IUPAC4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
SMILESCOCc1cc(-c2csc(N)n2)on1
InChIInChI=1S/C8H9N3O2S/c1-12-3-5-2-7(13-11-5)6-4-14-8(9)10-6/h2,4H,3H2,1H3,(H2,9,10)
InChIKeyUOABNPCWZWUCSN-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.53
Rot. Bonds3

About 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine

4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 14814702) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
PubChem CID14814702
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
SMILESCOCc1cc(-c2csc(N)n2)on1
InChIInChI=1S/C8H9N3O2S/c1-12-3-5-2-7(13-11-5)6-4-14-8(9)10-6/h2,4H,3H2,1H3,(H2,9,10)
InChIKeyUOABNPCWZWUCSN-UHFFFAOYSA-N
XLogP1.53
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine (CID 14814702) is 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is COCc1cc(-c2csc(N)n2)on1.
What is the InChIKey of 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is UOABNPCWZWUCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-12-3-5-2-7(13-11-5)6-4-14-8(9)10-6/h2,4H,3H2,1H3,(H2,9,10).
What are the key properties of 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 211.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 14814702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).