1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

C12H15N3OS — CID 114937719

IUPAC1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(OC)nc1)c1nc(C)cs1
InChIInChI=1S/C12H15N3OS/c1-8-7-17-12(15-8)11(13-2)9-4-5-10(16-3)14-6-9/h4-7,11,13H,1-3H3
InChIKeyQSXOHIQWGKGQBU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.16
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 114937719) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID114937719
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(OC)nc1)c1nc(C)cs1
InChIInChI=1S/C12H15N3OS/c1-8-7-17-12(15-8)11(13-2)9-4-5-10(16-3)14-6-9/h4-7,11,13H,1-3H3
InChIKeyQSXOHIQWGKGQBU-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 114937719) is 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is CNC(c1ccc(OC)nc1)c1nc(C)cs1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is QSXOHIQWGKGQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-7-17-12(15-8)11(13-2)9-4-5-10(16-3)14-6-9/h4-7,11,13H,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 114937719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).