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

C16H29N3OS — CID 79381395

IUPAC2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(N2CCCCC2C)nc1C(C)C
InChIInChI=1S/C16H29N3OS/c1-12(2)15-14(11-17-8-10-20-4)21-16(18-15)19-9-6-5-7-13(19)3/h12-13,17H,5-11H2,1-4H3
InChIKeyWVYBWALGSICLOL-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.38
Rot. Bonds7

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

2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 79381395) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID79381395
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(N2CCCCC2C)nc1C(C)C
InChIInChI=1S/C16H29N3OS/c1-12(2)15-14(11-17-8-10-20-4)21-16(18-15)19-9-6-5-7-13(19)3/h12-13,17H,5-11H2,1-4H3
InChIKeyWVYBWALGSICLOL-UHFFFAOYSA-N
XLogP3.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393020
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79396233
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395687
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107509487
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
N-[[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392603
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79382698
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 79381395) is 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is COCCNCc1sc(N2CCCCC2C)nc1C(C)C.
What is the InChIKey of 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is WVYBWALGSICLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-12(2)15-14(11-17-8-10-20-4)21-16(18-15)19-9-6-5-7-13(19)3/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 311.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79381395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).