1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C12H15N3OS — CID 105158960

IUPAC1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCOc1ncccc1C(N)Cc1csc(C)n1
InChIInChI=1S/C12H15N3OS/c1-8-15-9(7-17-8)6-11(13)10-4-3-5-14-12(10)16-2/h3-5,7,11H,6,13H2,1-2H3
InChIKeyCYEPUMAMKXTMSW-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.10
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 105158960) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID105158960
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCOc1ncccc1C(N)Cc1csc(C)n1
InChIInChI=1S/C12H15N3OS/c1-8-15-9(7-17-8)6-11(13)10-4-3-5-14-12(10)16-2/h3-5,7,11H,6,13H2,1-2H3
InChIKeyCYEPUMAMKXTMSW-UHFFFAOYSA-N
XLogP2.10
TPSA61.03 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103433481
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105101378
1-(2-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104789770
2-(2,4-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105117230
1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 112743003
2-cyclopropyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 55297501
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160896
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330598
1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
CID 105106766
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine
CID 105181377

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 105158960) is 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is COc1ncccc1C(N)Cc1csc(C)n1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is CYEPUMAMKXTMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-15-9(7-17-8)6-11(13)10-4-3-5-14-12(10)16-2/h3-5,7,11H,6,13H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 249.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 105158960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).