N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C16H22N6OS — CID 35015644

IUPACN-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCN(c3cnccn3)CC2)cs1
InChIInChI=1S/C16H22N6OS/c1-3-22(13(2)23)16-19-14(12-24-16)11-20-6-8-21(9-7-20)15-10-17-4-5-18-15/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyQSUQCNWBFJCHSY-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.63
Rot. Bonds5

About N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 35015644) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID35015644
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCN(c3cnccn3)CC2)cs1
InChIInChI=1S/C16H22N6OS/c1-3-22(13(2)23)16-19-14(12-24-16)11-20-6-8-21(9-7-20)15-10-17-4-5-18-15/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyQSUQCNWBFJCHSY-UHFFFAOYSA-N
XLogP1.63
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 29440898
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 47054184
N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
N-ethyl-N-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115874190
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
CID 120660844
N-ethyl-N-[4-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71895768
N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71878560
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
N-ethyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95279235
N-ethyl-N-[4-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97028668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 35015644) is N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN2CCN(c3cnccn3)CC2)cs1.
What is the InChIKey of N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QSUQCNWBFJCHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-3-22(13(2)23)16-19-14(12-24-16)11-20-6-8-21(9-7-20)15-10-17-4-5-18-15/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 35015644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).