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

C10H14N4O2S — CID 107435967

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CNC(=O)CN2)cs1
InChIInChI=1S/C10H14N4O2S/c1-6-14-7(5-17-6)2-13-10(16)8-3-12-9(15)4-11-8/h5,8,11H,2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyMGJRYNQOUHTPCU-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.84
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435967) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435967
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CNC(=O)CN2)cs1
InChIInChI=1S/C10H14N4O2S/c1-6-14-7(5-17-6)2-13-10(16)8-3-12-9(15)4-11-8/h5,8,11H,2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyMGJRYNQOUHTPCU-UHFFFAOYSA-N
XLogP-0.84
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107436138
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2-carboxamide
CID 106381374
N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437406
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 114137130
2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 107437307
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107434749
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107434801
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide (CID 107435967) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide is Cc1nc(CNC(=O)C2CNC(=O)CN2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is MGJRYNQOUHTPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6-14-7(5-17-6)2-13-10(16)8-3-12-9(15)4-11-8/h5,8,11H,2-4H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 254.31 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).