N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide

C15H17N5O2S — CID 53335996

IUPACN-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESCN1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1
InChIInChI=1S/C15H17N5O2S/c1-19-5-7-20(8-6-19)15(22)13-11(2-9-23-13)18-14(21)12-10-16-3-4-17-12/h2-4,9-10H,5-8H2,1H3,(H,18,21)
InChIKeyLWWCFGUIBHQJLG-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.18
Rot. Bonds3

About N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide

N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335996) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335996
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESCN1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1
InChIInChI=1S/C15H17N5O2S/c1-19-5-7-20(8-6-19)15(22)13-11(2-9-23-13)18-14(21)12-10-16-3-4-17-12/h2-4,9-10H,5-8H2,1H3,(H,18,21)
InChIKeyLWWCFGUIBHQJLG-UHFFFAOYSA-N
XLogP1.18
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide (CID 53335996) is N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide is CN1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is LWWCFGUIBHQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-19-5-7-20(8-6-19)15(22)13-11(2-9-23-13)18-14(21)12-10-16-3-4-17-12/h2-4,9-10H,5-8H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).