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

C21H21N5O2S — CID 53336035

IUPACN-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCc1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C21H21N5O2S/c1-15-2-4-16(5-3-15)25-9-11-26(12-10-25)21(28)19-17(6-13-29-19)24-20(27)18-14-22-7-8-23-18/h2-8,13-14H,9-12H2,1H3,(H,24,27)
InChIKeyXEEJDTJSAGVNTO-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.06
Rot. Bonds4

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

N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53336035) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53336035
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCc1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C21H21N5O2S/c1-15-2-4-16(5-3-15)25-9-11-26(12-10-25)21(28)19-17(6-13-29-19)24-20(27)18-14-22-7-8-23-18/h2-8,13-14H,9-12H2,1H3,(H,24,27)
InChIKeyXEEJDTJSAGVNTO-UHFFFAOYSA-N
XLogP3.06
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[2-[4-(4-methylphenyl)piperazine-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

Related Compounds

N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336017
N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335996
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980
N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336004
N-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336010
N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335990
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336001
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide
CID 24616065
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 112800363
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide
CID 26359267

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide (CID 53336035) is N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide is Cc1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is XEEJDTJSAGVNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-15-2-4-16(5-3-15)25-9-11-26(12-10-25)21(28)19-17(6-13-29-19)24-20(27)18-14-22-7-8-23-18/h2-8,13-14H,9-12H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53336035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).