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

C21H28N4O2S — CID 47524748

IUPACN-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C21H28N4O2S/c1-15-4-6-20(7-5-15)25(17(3)27)21-23-19(14-28-21)13-24-10-8-18(9-11-24)12-22-16(2)26/h4-7,14,18H,8-13H2,1-3H3,(H,22,26)
InChIKeyZEZUKZQGRSLJMR-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.48
Rot. Bonds6

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

N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 47524748) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
PubChem CID47524748
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C21H28N4O2S/c1-15-4-6-20(7-5-15)25(17(3)27)21-23-19(14-28-21)13-24-10-8-18(9-11-24)12-22-16(2)26/h4-7,14,18H,8-13H2,1-3H3,(H,22,26)
InChIKeyZEZUKZQGRSLJMR-UHFFFAOYSA-N
XLogP3.48
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-[4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 55986998
N-(4-methylphenyl)-N-[4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 120968058
N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 120909382
N-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111102159
N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8596103
N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120906158
N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120963160
ethyl 1-[[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 8772824
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 80552624
N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide
CID 102736682
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
CID 120909039

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide (CID 47524748) is N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1.
What is the InChIKey of N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is ZEZUKZQGRSLJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-15-4-6-20(7-5-15)25(17(3)27)21-23-19(14-28-21)13-24-10-8-18(9-11-24)12-22-16(2)26/h4-7,14,18H,8-13H2,1-3H3,(H,22,26).
What are the key properties of N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 400.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 47524748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).