N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide

C11H16N4O2S — CID 107436715

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCc1csc(C(C)NC(=O)C2CNC(=O)CN2)n1
InChIInChI=1S/C11H16N4O2S/c1-6-5-18-11(14-6)7(2)15-10(17)8-3-13-9(16)4-12-8/h5,7-8,12H,3-4H2,1-2H3,(H,13,16)(H,15,17)
InChIKeyOVEBGGDQPJNETC-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.28
Rot. Bonds3

About N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107436715) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
PubChem CID107436715
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCc1csc(C(C)NC(=O)C2CNC(=O)CN2)n1
InChIInChI=1S/C11H16N4O2S/c1-6-5-18-11(14-6)7(2)15-10(17)8-3-13-9(16)4-12-8/h5,7-8,12H,3-4H2,1-2H3,(H,13,16)(H,15,17)
InChIKeyOVEBGGDQPJNETC-UHFFFAOYSA-N
XLogP-0.28
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78923912
(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896578
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]piperazine-2-carboxamide
CID 114158960
1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438858
3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068241
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435967
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide (CID 107436715) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide is Cc1csc(C(C)NC(=O)C2CNC(=O)CN2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is OVEBGGDQPJNETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-6-5-18-11(14-6)7(2)15-10(17)8-3-13-9(16)4-12-8/h5,7-8,12H,3-4H2,1-2H3,(H,13,16)(H,15,17).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107436715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).