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

C18H25N5OS — CID 174192801

IUPACN-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC(Cc3ccnc(C)c3)NC[C@@H]2C)s1
InChIInChI=1S/C18H25N5OS/c1-12-6-15(4-5-19-12)7-16-10-23(13(2)8-20-16)11-17-9-21-18(25-17)22-14(3)24/h4-6,9,13,16,20H,7-8,10-11H2,1-3H3,(H,21,22,24)/t13-,16?/m0/s1
InChIKeySKRNHHKIPSPIEF-KNVGNIICSA-N
MW359.50 g/mol
LogP2.21
Rot. Bonds5

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

N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 174192801) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID174192801
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC(Cc3ccnc(C)c3)NC[C@@H]2C)s1
InChIInChI=1S/C18H25N5OS/c1-12-6-15(4-5-19-12)7-16-10-23(13(2)8-20-16)11-17-9-21-18(25-17)22-14(3)24/h4-6,9,13,16,20H,7-8,10-11H2,1-3H3,(H,21,22,24)/t13-,16?/m0/s1
InChIKeySKRNHHKIPSPIEF-KNVGNIICSA-N
XLogP2.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[(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-[[(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-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 165082552
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-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146628922
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155103918
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-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide
CID 170668053
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 174192801) is N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC(Cc3ccnc(C)c3)NC[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SKRNHHKIPSPIEF-KNVGNIICSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12-6-15(4-5-19-12)7-16-10-23(13(2)8-20-16)11-17-9-21-18(25-17)22-14(3)24/h4-6,9,13,16,20H,7-8,10-11H2,1-3H3,(H,21,22,24)/t13-,16?/m0/s1.
What are the key properties of N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 174192801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).