N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride

C12H19ClN4O2S — CID 119454974

IUPACN,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)N(C)CC(=O)N2CCNCC2)s1.Cl
InChIInChI=1S/C12H18N4O2S.ClH/c1-9-14-7-10(19-9)12(18)15(2)8-11(17)16-5-3-13-4-6-16;/h7,13H,3-6,8H2,1-2H3;1H
InChIKeyBXUQVQFUJVZNSJ-UHFFFAOYSA-N
MW318.83 g/mol
LogP0.38
Rot. Bonds3

About N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride

N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119454974) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119454974
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC NameN,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)N(C)CC(=O)N2CCNCC2)s1.Cl
InChIInChI=1S/C12H18N4O2S.ClH/c1-9-14-7-10(19-9)12(18)15(2)8-11(17)16-5-3-13-4-6-16;/h7,13H,3-6,8H2,1-2H3;1H
InChIKeyBXUQVQFUJVZNSJ-UHFFFAOYSA-N
XLogP0.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119454691
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 65198629
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119454701
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 119454600
N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671306
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 115736836
4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 81122974
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 119454974) is N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride is Cc1ncc(C(=O)N(C)CC(=O)N2CCNCC2)s1.Cl.
What is the InChIKey of N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is BXUQVQFUJVZNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S.ClH/c1-9-14-7-10(19-9)12(18)15(2)8-11(17)16-5-3-13-4-6-16;/h7,13H,3-6,8H2,1-2H3;1H.
What are the key properties of N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 318.83 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119454974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).