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

C11H16N4O2S — CID 107436138

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CNC(=O)CN2)cs1
InChIInChI=1S/C11H16N4O2S/c1-7-14-8(6-18-7)5-15(2)11(17)9-3-13-10(16)4-12-9/h6,9,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyBFLRKAWQDMUPKK-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.50
Rot. Bonds3

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

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107436138) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107436138
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CNC(=O)CN2)cs1
InChIInChI=1S/C11H16N4O2S/c1-7-14-8(6-18-7)5-15(2)11(17)9-3-13-10(16)4-12-9/h6,9,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyBFLRKAWQDMUPKK-UHFFFAOYSA-N
XLogP-0.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435967
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107436592
N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 107433918
(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 98540715
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119841640
N-[(4-cyanophenyl)methyl]-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435093
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol
CID 63703954
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841605
N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide
CID 107436470

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide (CID 107436138) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide is Cc1nc(CN(C)C(=O)C2CNC(=O)CN2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is BFLRKAWQDMUPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7-14-8(6-18-7)5-15(2)11(17)9-3-13-10(16)4-12-9/h6,9,12H,3-5H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107436138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).