1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C12H15N3OS — CID 114938151

IUPAC1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(C)c(C(C)N)s2)cn1
InChIInChI=1S/C12H15N3OS/c1-7(13)11-8(2)15-12(17-11)9-4-5-10(16-3)14-6-9/h4-7H,13H2,1-3H3
InChIKeyFSUMPBOQMBJLRR-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.54
Rot. Bonds3

About 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 114938151) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID114938151
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(C)c(C(C)N)s2)cn1
InChIInChI=1S/C12H15N3OS/c1-7(13)11-8(2)15-12(17-11)9-4-5-10(16-3)14-6-9/h4-7H,13H2,1-3H3
InChIKeyFSUMPBOQMBJLRR-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 114938151) is 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is COc1ccc(-c2nc(C)c(C(C)N)s2)cn1.
What is the InChIKey of 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FSUMPBOQMBJLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7(13)11-8(2)15-12(17-11)9-4-5-10(16-3)14-6-9/h4-7H,13H2,1-3H3.
What are the key properties of 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 249.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 114938151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).