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

C19H26N4OS — CID 163814299

IUPACN-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@@H](Cc3ccnc(C)c3)CC[C@@H]2C)s1
InChIInChI=1S/C19H26N4OS/c1-13-8-16(6-7-20-13)9-17-5-4-14(2)23(11-17)12-18-10-21-19(25-18)22-15(3)24/h6-8,10,14,17H,4-5,9,11-12H2,1-3H3,(H,21,22,24)/t14-,17+/m0/s1
InChIKeyACHBNOUUXPCMSB-WMLDXEAASA-N
MW358.51 g/mol
LogP3.65
Rot. Bonds5

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

N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 163814299) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID163814299
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@@H](Cc3ccnc(C)c3)CC[C@@H]2C)s1
InChIInChI=1S/C19H26N4OS/c1-13-8-16(6-7-20-13)9-17-5-4-14(2)23(11-17)12-18-10-21-19(25-18)22-15(3)24/h6-8,10,14,17H,4-5,9,11-12H2,1-3H3,(H,21,22,24)/t14-,17+/m0/s1
InChIKeyACHBNOUUXPCMSB-WMLDXEAASA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 174192801
N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146628936
N-[5-[[(2R,5S)-5-methyl-2-[(6-methyl-3-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629012
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117
N-[5-[[(2S,5R)-4-acetyl-2-methyl-5-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629028
N-[5-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268
N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135240
N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 165082552
N-[5-[[3-[(2-ethoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 157485346
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-[[6-[(2-methoxy-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629080
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 163814299) is N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2C[C@@H](Cc3ccnc(C)c3)CC[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ACHBNOUUXPCMSB-WMLDXEAASA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-8-16(6-7-20-13)9-17-5-4-14(2)23(11-17)12-18-10-21-19(25-18)22-15(3)24/h6-8,10,14,17H,4-5,9,11-12H2,1-3H3,(H,21,22,24)/t14-,17+/m0/s1.
What are the key properties of N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 163814299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).