1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone

C10H11N3O2S — CID 81173828

IUPAC1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1ccon1
InChIInChI=1S/C10H11N3O2S/c1-6-9(7(2)14)10(16-13-6)11-5-8-3-4-15-12-8/h3-4,11H,5H2,1-2H3
InChIKeyJSWDNGJALJRSJK-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.25
Rot. Bonds4

About 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone (PubChem CID 81173828) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone
PubChem CID81173828
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1ccon1
InChIInChI=1S/C10H11N3O2S/c1-6-9(7(2)14)10(16-13-6)11-5-8-3-4-15-12-8/h3-4,11H,5H2,1-2H3
InChIKeyJSWDNGJALJRSJK-UHFFFAOYSA-N
XLogP2.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone (CID 81173828) is 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCc1ccon1.
What is the InChIKey of 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is JSWDNGJALJRSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-9(7(2)14)10(16-13-6)11-5-8-3-4-15-12-8/h3-4,11H,5H2,1-2H3.
What are the key properties of 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 237.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 81173828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).