N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C16H26N4O2S — CID 45193083

IUPACN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1nccs1
InChIInChI=1S/C16H26N4O2S/c1-12(2)4-7-20-8-5-18-16(22)13(20)10-15(21)19(3)11-14-17-6-9-23-14/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,18,22)
InChIKeyQALZQSUCODUGRO-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.34
Rot. Bonds7

About N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 45193083) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID45193083
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1nccs1
InChIInChI=1S/C16H26N4O2S/c1-12(2)4-7-20-8-5-18-16(22)13(20)10-15(21)19(3)11-14-17-6-9-23-14/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,18,22)
InChIKeyQALZQSUCODUGRO-UHFFFAOYSA-N
XLogP1.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44456002
2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
CID 9943002
Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 56911946
1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidinecarboxamide
CID 49355878
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
(2S)-2-(2,2-dimethylpropanoylamino)-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 122151537
(2S)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129944
2-Amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 128877136
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979
(2S)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 57202674
Sdccgsbi-0117438.P001
CID 26412149

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 45193083) is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1nccs1.
What is the InChIKey of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is QALZQSUCODUGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12(2)4-7-20-8-5-18-16(22)13(20)10-15(21)19(3)11-14-17-6-9-23-14/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,18,22).
What are the key properties of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 338.48 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 45193083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).