[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone

C20H28N4O2S — CID 26334416

IUPAC[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN(C(=O)c2ccc(NCCc3nc(C)c(C)s3)nc2)C1
InChIInChI=1S/C20H28N4O2S/c1-14-15(2)27-19(23-14)8-9-21-18-7-6-17(11-22-18)20(25)24-10-4-5-16(12-24)13-26-3/h6-7,11,16H,4-5,8-10,12-13H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyLPELGJDJMVCZPY-MRXNPFEDSA-N
MW388.54 g/mol
LogP3.31
Rot. Bonds7

About [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone

[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 26334416) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID26334416
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN(C(=O)c2ccc(NCCc3nc(C)c(C)s3)nc2)C1
InChIInChI=1S/C20H28N4O2S/c1-14-15(2)27-19(23-14)8-9-21-18-7-6-17(11-22-18)20(25)24-10-4-5-16(12-24)13-26-3/h6-7,11,16H,4-5,8-10,12-13H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyLPELGJDJMVCZPY-MRXNPFEDSA-N
XLogP3.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
CID 95210051
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
CID 95210050
[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 107228678
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
[6-(3-methoxypropylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 146153252
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 95188150
[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 95200791
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 26334416) is [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone is COC[C@@H]1CCCN(C(=O)c2ccc(NCCc3nc(C)c(C)s3)nc2)C1.
What is the InChIKey of [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is LPELGJDJMVCZPY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14-15(2)27-19(23-14)8-9-21-18-7-6-17(11-22-18)20(25)24-10-4-5-16(12-24)13-26-3/h6-7,11,16H,4-5,8-10,12-13H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 388.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 26334416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).