1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine

C21H37N3O2S — CID 29026332

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOCCN1CCC(CN(Cc2nc(C(C)C)cs2)C[C@@H]2CCCO2)CC1
InChIInChI=1S/C21H37N3O2S/c1-17(2)20-16-27-21(22-20)15-24(14-19-5-4-11-26-19)13-18-6-8-23(9-7-18)10-12-25-3/h16-19H,4-15H2,1-3H3/t19-/m0/s1
InChIKeyUIIHVQQXWWHNHK-IBGZPJMESA-N
MW395.61 g/mol
LogP3.61
Rot. Bonds10

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine

1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 29026332) has the molecular formula C21H37N3O2S and a molecular weight of 395.61 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID29026332
Molecular FormulaC21H37N3O2S
Molecular Weight395.61 g/mol
Exact Mass395.26
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOCCN1CCC(CN(Cc2nc(C(C)C)cs2)C[C@@H]2CCCO2)CC1
InChIInChI=1S/C21H37N3O2S/c1-17(2)20-16-27-21(22-20)15-24(14-19-5-4-11-26-19)13-18-6-8-23(9-7-18)10-12-25-3/h16-19H,4-15H2,1-3H3/t19-/m0/s1
InChIKeyUIIHVQQXWWHNHK-IBGZPJMESA-N
XLogP3.61
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.61
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine (CID 29026332) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine is COCCN1CCC(CN(Cc2nc(C(C)C)cs2)C[C@@H]2CCCO2)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is UIIHVQQXWWHNHK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H37N3O2S/c1-17(2)20-16-27-21(22-20)15-24(14-19-5-4-11-26-19)13-18-6-8-23(9-7-18)10-12-25-3/h16-19H,4-15H2,1-3H3/t19-/m0/s1.
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 395.61 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 29026332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).