N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide

C16H19N5O2S — CID 166270134

IUPACN-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(c3cnccn3)C(C)C2)s1
InChIInChI=1S/C16H19N5O2S/c1-11-10-20(7-8-21(11)14-9-17-5-6-18-14)16(23)13-3-4-15(24-13)19-12(2)22/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,22)
InChIKeyWAQCUZQWHZNLMG-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.85
Rot. Bonds3

About N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide

N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide (PubChem CID 166270134) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide
PubChem CID166270134
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(c3cnccn3)C(C)C2)s1
InChIInChI=1S/C16H19N5O2S/c1-11-10-20(7-8-21(11)14-9-17-5-6-18-14)16(23)13-3-4-15(24-13)19-12(2)22/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,22)
InChIKeyWAQCUZQWHZNLMG-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 167771150
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 166270136
N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 114679938
N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
N-[5-(3-hydroxypiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 43415885
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)amino]phenyl]methanone
CID 139473858
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 59382198
3-methyl-4-pyrazin-2-ylthiomorpholine
CID 131155886
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
2,2,2-trifluoro-1-[5-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 69184024
(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682644

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide?
The IUPAC name of N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide (CID 166270134) is N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(c3cnccn3)C(C)C2)s1.
What is the InChIKey of N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide?
The InChIKey is WAQCUZQWHZNLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-10-20(7-8-21(11)14-9-17-5-6-18-14)16(23)13-3-4-15(24-13)19-12(2)22/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide?
N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide has a molecular weight of 345.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 166270134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).