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

C18H23N3OS — CID 86275056

IUPACN-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3cccc(C)c3)CC2)s1
InChIInChI=1S/C18H23N3OS/c1-13-4-3-5-16(10-13)15-6-8-21(9-7-15)12-17-11-19-18(23-17)20-14(2)22/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,19,20,22)
InChIKeyFGDGBQIAOLLRHU-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.79
Rot. Bonds4

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

N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86275056) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86275056
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3cccc(C)c3)CC2)s1
InChIInChI=1S/C18H23N3OS/c1-13-4-3-5-16(10-13)15-6-8-21(9-7-15)12-17-11-19-18(23-17)20-14(2)22/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,19,20,22)
InChIKeyFGDGBQIAOLLRHU-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
1-[5-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907676
1-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
methyl N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate
CID 822778
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2083675
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673045
N-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 4673983
3-methyl-N-[5-(4-morpholinylmethyl)-1,3-thiazol-2-yl]benzamide
CID 1252103
2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide
CID 16760027
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 86275056) is N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(c3cccc(C)c3)CC2)s1.
What is the InChIKey of N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FGDGBQIAOLLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-4-3-5-16(10-13)15-6-8-21(9-7-15)12-17-11-19-18(23-17)20-14(2)22/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,19,20,22).
What are the key properties of N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86275056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).