(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine

C15H21N3OS — CID 99932010

IUPAC(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine
SMILESCOc1ccc(CN(C)[C@@H](C)c2nc(C)sc2C)cn1
InChIInChI=1S/C15H21N3OS/c1-10(15-11(2)20-12(3)17-15)18(4)9-13-6-7-14(19-5)16-8-13/h6-8,10H,9H2,1-5H3/t10-/m0/s1
InChIKeyGDOOCWIVGLMFAW-JTQLQIEISA-N
MW291.42 g/mol
LogP3.36
Rot. Bonds5

About (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine

(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine (PubChem CID 99932010) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine
PubChem CID99932010
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine
SMILESCOc1ccc(CN(C)[C@@H](C)c2nc(C)sc2C)cn1
InChIInChI=1S/C15H21N3OS/c1-10(15-11(2)20-12(3)17-15)18(4)9-13-6-7-14(19-5)16-8-13/h6-8,10H,9H2,1-5H3/t10-/m0/s1
InChIKeyGDOOCWIVGLMFAW-JTQLQIEISA-N
XLogP3.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine with MolForge

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Related Compounds

(1R)-N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 99937483
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N-methylethanamine
CID 131897360
2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid
CID 167971767
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688296
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-N-methylethanamine
CID 42596188
2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 114938741
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 54977668
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111038740
[1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105250512
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine?
The IUPAC name of (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine (CID 99932010) is (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine.
What is the SMILES notation for (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine?
The canonical SMILES for (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine is COc1ccc(CN(C)[C@@H](C)c2nc(C)sc2C)cn1.
What is the InChIKey of (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine?
The InChIKey is GDOOCWIVGLMFAW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10(15-11(2)20-12(3)17-15)18(4)9-13-6-7-14(19-5)16-8-13/h6-8,10H,9H2,1-5H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine?
(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine is sourced from PubChem (CID 99932010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).