N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H28N4OS — CID 135135240

IUPACN-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)[C@@H]2C)s1
InChIInChI=1S/C20H28N4OS/c1-13-8-17(9-14(2)22-13)10-18-6-5-7-24(15(18)3)12-19-11-21-20(26-19)23-16(4)25/h8-9,11,15,18H,5-7,10,12H2,1-4H3,(H,21,23,25)/t15-,18+/m0/s1
InChIKeyHTXIJVOKZMZVBC-MAUKXSAKSA-N
MW372.54 g/mol
LogP3.96
Rot. Bonds5

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

N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135135240) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135135240
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)[C@@H]2C)s1
InChIInChI=1S/C20H28N4OS/c1-13-8-17(9-14(2)22-13)10-18-6-5-7-24(15(18)3)12-19-11-21-20(26-19)23-16(4)25/h8-9,11,15,18H,5-7,10,12H2,1-4H3,(H,21,23,25)/t15-,18+/m0/s1
InChIKeyHTXIJVOKZMZVBC-MAUKXSAKSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[(6R)-6-[(2,6-dimethyl-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629115
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135119
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 160933841
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155103918
N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 163814299
N-[5-[[3-[(2-ethoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 157485346
4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-2-tert-butyl-3-methylpiperazine-1-carboxylic acid
CID 175454334
N-[4-bromo-5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146284871
N-[5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146419708
N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 174192801

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135135240) is N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HTXIJVOKZMZVBC-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-13-8-17(9-14(2)22-13)10-18-6-5-7-24(15(18)3)12-19-11-21-20(26-19)23-16(4)25/h8-9,11,15,18H,5-7,10,12H2,1-4H3,(H,21,23,25)/t15-,18+/m0/s1.
What are the key properties of N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 372.54 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135135240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).