1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine

C11H15N3O2S — CID 146106306

IUPAC1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SMILESCOc1nscc1C(C)NCc1cc(C)on1
InChIInChI=1S/C11H15N3O2S/c1-7-4-9(13-16-7)5-12-8(2)10-6-17-14-11(10)15-3/h4,6,8,12H,5H2,1-3H3
InChIKeyPMESSUQIRMLSKK-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.30
Rot. Bonds5

About 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine

1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine (PubChem CID 146106306) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
PubChem CID146106306
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SMILESCOc1nscc1C(C)NCc1cc(C)on1
InChIInChI=1S/C11H15N3O2S/c1-7-4-9(13-16-7)5-12-8(2)10-6-17-14-11(10)15-3/h4,6,8,12H,5H2,1-3H3
InChIKeyPMESSUQIRMLSKK-UHFFFAOYSA-N
XLogP2.30
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine (CID 146106306) is 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine is COc1nscc1C(C)NCc1cc(C)on1.
What is the InChIKey of 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The InChIKey is PMESSUQIRMLSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-4-9(13-16-7)5-12-8(2)10-6-17-14-11(10)15-3/h4,6,8,12H,5H2,1-3H3.
What are the key properties of 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine has a molecular weight of 253.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 146106306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).