(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone

C20H21N5OS — CID 39152618

IUPAC(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C20H21N5OS/c21-19-18(22-8-9-23-19)20(26)25-12-10-24(11-13-25)14-16-6-7-17(27-16)15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,23)
InChIKeyUNAJMGIJNXDSOY-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.75
Rot. Bonds4

About (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 39152618) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID39152618
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C20H21N5OS/c21-19-18(22-8-9-23-19)20(26)25-12-10-24(11-13-25)14-16-6-7-17(27-16)15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,23)
InChIKeyUNAJMGIJNXDSOY-UHFFFAOYSA-N
XLogP2.75
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
2-[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31152252
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112845378
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 37399738
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399531
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399827
(3-aminopyrazin-2-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 39009137
1-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43059204
(2,5-dimethylpyrazol-3-yl)-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methanone
CID 55872742
2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042939
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 37399745
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 60641592

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone (CID 39152618) is (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone is Nc1nccnc1C(=O)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is UNAJMGIJNXDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c21-19-18(22-8-9-23-19)20(26)25-12-10-24(11-13-25)14-16-6-7-17(27-16)15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,23).
What are the key properties of (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 379.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 39152618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).