2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C20H26N4O2S — CID 126801664

IUPAC2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCCC1(C)C(=O)NCCN1Cc1csc(CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H26N4O2S/c1-3-9-20(2)19(26)21-10-11-24(20)13-16-14-27-18(23-16)12-17(25)22-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyFJZAAWDTFCPBJN-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.81
Rot. Bonds7

About 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 126801664) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID126801664
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCCC1(C)C(=O)NCCN1Cc1csc(CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H26N4O2S/c1-3-9-20(2)19(26)21-10-11-24(20)13-16-14-27-18(23-16)12-17(25)22-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyFJZAAWDTFCPBJN-UHFFFAOYSA-N
XLogP2.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 99106971
2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 111495984
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 63606160
2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 167753812
2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9006638
2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496477
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386672
2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 120775121
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide
CID 126814521

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 126801664) is 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CCCC1(C)C(=O)NCCN1Cc1csc(CC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is FJZAAWDTFCPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-3-9-20(2)19(26)21-10-11-24(20)13-16-14-27-18(23-16)12-17(25)22-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 386.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 126801664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).